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Convex OptimizationOptimization·Captain: mikedeng1

Convex Optimization: Algorithms and Complexity XIII: Newton's Method Converges Quadratically, ‖x_{k+1} − x*‖ ≤ (M/μ)‖x_k − x*‖², from ‖x₀ − x*‖ ≤ μ/(2M)Textbook

Motivation

Newton's method is the basic second-order method of continuous optimization: at the current point it replaces the objective by its second-order Taylor model and jumps to the stationary point of that model. Its defining property is speed near a nondegenerate minimum, where the error is squared at every step, so that the number of correct digits roughly doubles per iteration. This local behaviour is what makes Newton's method the inner engine of interior point methods, the polynomial-time algorithms for linear, conic and general convex programming (Nesterov and Nemirovski, 1994). In S. Bubeck's monograph Convex Optimization: Algorithms and Complexity (Foundations and Trends in Machine Learning, 2015; arXiv:1405.4980v2), §5.3.2 recalls the traditional local analysis of Newton's method, Theorem 5.3, before turning to the affine-invariant self-concordance analysis used for interior point methods. This mission formalizes that theorem and the four steps of its proof.

Setting

Let Rn\mathbb R^nRn carry the Euclidean norm ∥⋅∥\|\cdot\|∥⋅∥, and write ∥A∥\|A\|∥A∥ for the operator norm of a linear map A:Rn→RnA:\mathbb R^n\to\mathbb R^nA:Rn→Rn, so that ∥Ax∥≤∥A∥ ∥x∥\|Ax\|\le\|A\|\,\|x\|∥Ax∥≤∥A∥∥x∥. Let f:Rn→Rf:\mathbb R^n\to\mathbb Rf:Rn→R be a C2C^2C2 function, with gradient ∇f(x)∈Rn\nabla f(x)\in\mathbb R^n∇f(x)∈Rn and Hessian ∇2f(x)\nabla^2 f(x)∇2f(x), a linear map Rn→Rn\mathbb R^n\to\mathbb R^nRn→Rn (the derivative of the gradient map). For a real number ccc, A⪰cInA\succeq cI_nA⪰cIn​ means ⟨Av,v⟩≥c∥v∥2\langle Av,v\rangle\ge c\|v\|^2⟨Av,v⟩≥c∥v∥2 for all v∈Rnv\in\mathbb R^nv∈Rn.

The Hessian is MMM-Lipschitz if ∥∇2f(x)−∇2f(y)∥≤M∥x−y∥\|\nabla^2 f(x)-\nabla^2 f(y)\|\le M\|x-y\|∥∇2f(x)−∇2f(y)∥≤M∥x−y∥ for all x,y∈Rnx,y\in\mathbb R^nx,y∈Rn.

Newton's method starts at x0∈Rnx_0\in\mathbb R^nx0​∈Rn and iterates, for k≥0k\ge0k≥0,

xk+1=xk−[∇2f(xk)]−1∇f(xk).x_{k+1}=x_k-[\nabla^2 f(x_k)]^{-1}\nabla f(x_k).xk+1​=xk​−[∇2f(xk​)]−1∇f(xk​).

A point x∗x^*x∗ is a local minimum of fff if f(x∗)≤f(x)f(x^*)\le f(x)f(x∗)≤f(x) for all xxx in a neighbourhood of x∗x^*x∗; it has strictly positive Hessian if ∇2f(x∗)⪰μIn\nabla^2 f(x^*)\succeq\mu I_n∇2f(x∗)⪰μIn​ for some μ>0\mu>0μ>0.

Formalization targets

Goal: Theorem 5.3 (p. 320)

Assume the Hessian of fff is MMM-Lipschitz, M>0M>0M>0, and x∗x^*x∗ is a local minimum with ∇2f(x∗)⪰μIn\nabla^2 f(x^*)\succeq\mu I_n∇2f(x∗)⪰μIn​, μ>0\mu>0μ>0. If ∥x0−x∗∥≤μ/(2M)\|x_0-x^*\|\le\mu/(2M)∥x0​−x∗∥≤μ/(2M), then Newton's method from x0x_0x0​ is well defined (every Hessian along the iterates is invertible, so the sequence exists and is unique) and

∥xk+1−x∗∥≤Mμ ∥xk−x∗∥2(k≥0),xk→x∗.\|x_{k+1}-x^*\|\le\frac M\mu\,\|x_k-x^*\|^2\quad(k\ge0),\qquad x_k\to x^*.∥xk+1​−x∗∥≤μM​∥xk​−x∗∥2(k≥0),xk​→x∗.

Milestones (p. 321, the steps of the proof)

  1. The integral formula ∫01∇2f(x+sh) h ds=∇f(x+h)−∇f(x)\int_0^1\nabla^2 f(x+sh)\,h\,ds=\nabla f(x+h)-\nabla f(x)∫01​∇2f(x+sh)hds=∇f(x+h)−∇f(x).
  2. The error representation of one Newton step, xk+1−x∗=[∇2f(xk)]−1∫01[∇2f(xk)−∇2f(x∗+s(xk−x∗))](xk−x∗) dsx_{k+1}-x^*=[\nabla^2 f(x_k)]^{-1}\int_0^1[\nabla^2 f(x_k)-\nabla^2 f(x^*+s(x_k-x^*))](x_k-x^*)\,dsxk+1​−x∗=[∇2f(xk​)]−1∫01​[∇2f(xk​)−∇2f(x∗+s(xk​−x∗))](xk​−x∗)ds.
  3. The Lipschitz bound ∫01∥∇2f(xk)−∇2f(x∗+s(xk−x∗))∥ ds≤M2∥xk−x∗∥\int_0^1\|\nabla^2 f(x_k)-\nabla^2 f(x^*+s(x_k-x^*))\|\,ds\le\frac M2\|x_k-x^*\|∫01​∥∇2f(xk​)−∇2f(x∗+s(xk​−x∗))∥ds≤2M​∥xk​−x∗∥.
  4. The Hessian lower bound ∇2f(xk)⪰(μ−M∥xk−x∗∥)In⪰μ2In\nabla^2 f(x_k)\succeq(\mu-M\|x_k-x^*\|)I_n\succeq\frac\mu2I_n∇2f(xk​)⪰(μ−M∥xk​−x∗∥)In​⪰2μ​In​ when ∥xk−x∗∥≤μ/(2M)\|x_k-x^*\|\le\mu/(2M)∥xk​−x∗∥≤μ/(2M).

Significance

The theorem gives a quantitative basin of quadratic convergence: an explicit radius μ/(2M)\mu/(2M)μ/(2M), depending only on the curvature at the minimum and the Lipschitz constant of the Hessian, inside which Newton's method needs only O(log⁡log⁡(1/ε))O(\log\log(1/\varepsilon))O(loglog(1/ε)) iterations to reach accuracy ε\varepsilonε. It is the classical statement whose shortcomings (dependence on a choice of norm, constants that change under linear changes of variables) motivate the self-concordance theory of the following subsections, and it is the local convergence result invoked whenever a damped or globalized Newton scheme is shown to enter its quadratic phase.

On the formal side, Mathlib has the calculus this needs (Fréchet derivatives, interval integrals of vector-valued maps, operator norms) but no convergence theorem for multivariate Newton's method for minimization. A formal proof produces reusable pieces: the integral form of the mean value theorem for gradients, the stability of a positive-definite lower bound under Lipschitz perturbations, and an inverse-operator norm bound from a quadratic-form lower bound. The result itself is classical and fully proved in the literature; what is open here is its machine-checked proof in this form.

Difficulty

The individual inequalities are short, but the argument is an induction in which well-definedness and the rate are proved together: the Hessian at xkx_kxk​ is invertible only because xkx_kxk​ is still in the ball of radius μ/(2M)\mu/(2M)μ/(2M), and xk+1x_{k+1}xk+1​ stays in that ball only because of the rate. A proof that first assumes the sequence exists and then bounds it is circular. The proof also passes between two kinds of control on the Hessian, a lower bound on its quadratic form and an operator-norm bound on its inverse, and the second is only meaningful once invertibility is established. Finally, the integral manipulations need integrability of the maps s↦∇2f(x∗+s(xk−x∗))(xk−x∗)s\mapsto\nabla^2 f(x^*+s(x_k-x^*))(x_k-x^*)s↦∇2f(x∗+s(xk​−x∗))(xk​−x∗), which comes from the continuity of the Hessian.

Formalization scope

Rn\mathbb R^nRn is EuclideanSpace ℝ (Fin n). The gradient and Hessian are explicit maps g:Rn→Rng:\mathbb R^n\to\mathbb R^ng:Rn→Rn and H:Rn→(Rn→LRn)H:\mathbb R^n\to(\mathbb R^n\to_L\mathbb R^n)H:Rn→(Rn→L​Rn) with ContDiff ℝ 2 f, HasGradientAt f (g x) x and HasFDerivAt g (H x) x at every point; the norm on H(x)H(x)H(x) is Mathlib's operator norm, as on the page. A⪰cInA\succeq cI_nA⪰cIn​ is the quadratic-form inequality. A Newton run is a sequence x:N→Rnx:\mathbb N\to\mathbb R^nx:N→Rn indexed from 000 satisfying the linear system ∇2f(xk)(xk−xk+1)=∇f(xk)\nabla^2 f(x_k)(x_k-x_{k+1})=\nabla f(x_k)∇2f(xk​)(xk​−xk+1​)=∇f(xk​); no inverse of a possibly singular operator appears in any hypothesis, and "well defined" is a conclusion: a unique run exists from x0x_0x0​ and every Hessian along it is bijective. The rate and xk→x∗x_k\to x^*xk​→x∗ are asserted for every run. The error representation is stated with both sides multiplied by ∇2f(xk)\nabla^2 f(x_k)∇2f(xk​), which is equivalent to the printed form once the Hessian is invertible. Milestones 3 and 4 use only the Lipschitz property and are stated for any Lipschitz map HHH.

Added hypothesis: M>0M>0M>0 (the radius μ/(2M)\mu/(2M)μ/(2M) divides by MMM; with M=0M=0M=0, Lean's convention μ/0=0\mu/0=0μ/0=0 would collapse the hypothesis to x0=x∗x_0=x^*x0​=x∗). Convexity of fff is not assumed, as on the page; x∗x^*x∗ is a local minimum and ∇f(x∗)=0\nabla f(x^*)=0∇f(x∗)=0 is derived, not assumed. Encoding the Newton step with Lean's inverse (which returns 000 on singular maps), or replacing ∇2f(x∗)⪰μIn\nabla^2 f(x^*)\succeq\mu I_n∇2f(x∗)⪰μIn​ by mere invertibility, would change the theorem and is ruled out.

A complete development needs the fundamental theorem of calculus for C1C^1C1 vector-valued maps along segments, Hessian-based quadratic-form estimates, and operator-norm bounds for inverses; all are reusable for the analysis of damped Newton, cubic regularization and interior point methods. Proofs of the milestones independently of the goal are welcome.

Selected references

  • S. Bubeck, Convex Optimization: Algorithms and Complexity, Foundations and Trends in Machine Learning 8(3–4):231–358, 2015. arXiv:1405.4980v2, §5.3.2, Theorem 5.3, pp. 320–321.
  • Yu. Nesterov and A. Nemirovski, Interior-Point Polynomial Algorithms in Convex Programming, SIAM Studies in Applied Mathematics 13, 1994. doi:10.1137/1.9781611970791
  • Yu. Nesterov, Introductory Lectures on Convex Optimization: A Basic Course, Kluwer, 2004, Theorem 1.2.5. doi:10.1007/978-1-4419-8853-9
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Convex OptimizationPartial Differential Equations·Captain: mikedeng1

Mean Field Games: Numerical Methods for the Planning Problem II: Solutions of the Penalized Scheme Converge to a Solution of the Discrete Planning Scheme as ε → 0Research Paper

Motivation

Mean field games (MFG), introduced by Lasry and Lions and by Huang, Caines and Malhamé, describe Nash equilibria of very large populations of identical rational agents. The equilibrium is a coupled system: a backward Hamilton–Jacobi–Bellman equation for the value function uuu of a representative agent and a forward Fokker–Planck equation for the density mmm of the population. In the planning problem, proposed by P.-L. Lions, both the initial density m0m_0m0​ and the final density mTm_TmT​ are prescribed, and one asks for a cost structure under which the population moves from one to the other. This is a mean field analogue of optimal transport.

Achdou, Camilli and Capuzzo-Dolcetta (hal-00465404, SIAM J. Control Optim. 2012) propose finite-difference schemes for the planning problem. Mission I of this series treats the existence of a solution of the discrete planning scheme. Since the two boundary conditions on mmm make the discrete system hard to solve directly, the paper also introduces a penalized scheme, in which the initial condition M0=m0M^0 = m_0M0=m0​ is replaced by a penalty U0=(M0−m0)/εU^0 = (M^0 - m_0)/\varepsilonU0=(M0−m0​)/ε; for each ε>0\varepsilon > 0ε>0 this is a standard discrete MFG system with a unique solution. This mission formalizes the paper's §3.2: the penalized solutions converge, as ε→0\varepsilon \to 0ε→0, to a solution of the planning scheme.

Setting

Fix integers Nh≥1N_h \ge 1Nh​≥1, NT≥1N_T \ge 1NT​≥1, a horizon T>0T > 0T>0 and a viscosity ν≥0\nu \ge 0ν≥0; put h=1/Nhh = 1/N_hh=1/Nh​ and Δt=T/NT\Delta t = T/N_TΔt=T/NT​. The grid Th2\mathbb T^2_hTh2​ consists of the points xi,jx_{i,j}xi,j​, (i,j)∈(Z/NhZ)2(i,j) \in (\mathbb Z/N_h\mathbb Z)^2(i,j)∈(Z/Nh​Z)2 (periodic indices). A grid function is a real function on Th2\mathbb T^2_hTh2​; time levels are n=0,…,NTn = 0, \dots, N_Tn=0,…,NT​.

  • (D1+U)i,j=(Ui+1,j−Ui,j)/h(D_1^+U)_{i,j} = (U_{i+1,j} - U_{i,j})/h(D1+​U)i,j​=(Ui+1,j​−Ui,j​)/h, (D2+U)i,j=(Ui,j+1−Ui,j)/h(D_2^+U)_{i,j} = (U_{i,j+1} - U_{i,j})/h(D2+​U)i,j​=(Ui,j+1​−Ui,j​)/h, and the discrete gradient is [DhU]i,j=((D1+U)i,j,(D1+U)i−1,j,(D2+U)i,j,(D2+U)i,j−1)∈R4[D_hU]_{i,j} = ((D_1^+U)_{i,j}, (D_1^+U)_{i-1,j}, (D_2^+U)_{i,j}, (D_2^+U)_{i,j-1}) \in \mathbb R^4[Dh​U]i,j​=((D1+​U)i,j​,(D1+​U)i−1,j​,(D2+​U)i,j​,(D2+​U)i,j−1​)∈R4.
  • Δh\Delta_hΔh​ is the five-point Laplacian.
  • A numerical Hamiltonian g(xi,j,q)g(x_{i,j}, q)g(xi,j​,q), q∈R4q \in \mathbb R^4q∈R4, is monotone (G1), C1C^1C1 (G3), convex (G4) and coercive (G5) in qqq.
  • Bi,j(U,M)\mathcal B_{i,j}(U, M)Bi,j​(U,M) is the discrete transport term divh(M ∇qg(⋅,[DhU]))\mathrm{div}_h\big(M\,\nabla_q g(\cdot, [D_hU])\big)divh​(M∇q​g(⋅,[Dh​U])).
  • W:R→RW : \mathbb R \to \mathbb RW:R→R is strictly convex, superlinear and C2C^2C2, with V=W′V = W'V=W′ (hypothesis (24)).
  • K={M≥0:h2∑i,jMi,j=1}\mathcal K = \{M \ge 0 : h^2\sum_{i,j} M_{i,j} = 1\}K={M≥0:h2∑i,j​Mi,j​=1} is the set of discrete probability densities, and m0,mT∈Km_0, m_T \in \mathcal Km0​,mT​∈K with m0>0m_0 > 0m0​>0.

The planning scheme (18) asks for families (Un,Mn)(U^n, M^n)(Un,Mn) with, for n<NTn < N_Tn<NT​,

Un+1−UnΔt−νΔhUn+1+g(x,[DhUn+1])=V(Mn),Mn+1−MnΔt+νΔhMn+B(Un+1,Mn)=0,\frac{U^{n+1} - U^n}{\Delta t} - \nu\Delta_hU^{n+1} + g(x, [D_hU^{n+1}]) = V(M^n), \qquad \frac{M^{n+1} - M^n}{\Delta t} + \nu\Delta_hM^n + \mathcal B(U^{n+1}, M^n) = 0,ΔtUn+1−Un​−νΔh​Un+1+g(x,[Dh​Un+1])=V(Mn),ΔtMn+1−Mn​+νΔh​Mn+B(Un+1,Mn)=0,

Mn∈KM^n \in \mathcal KMn∈K, M0=m0M^0 = m_0M0=m0​ and MNT=mTM^{N_T} = m_TMNT​=mT​. The penalized scheme (20)–(23) has the same two equations, Mn∈KM^n \in \mathcal KMn∈K for n<NTn < N_Tn<NT​, MNT=mTM^{N_T} = m_TMNT​=mT​, and U0=(M0−m0)/εU^0 = (M^0 - m_0)/\varepsilonU0=(M0−m0​)/ε in place of M0=m0M^0 = m_0M0=m0​.

Formalization targets

Goal: Proposition 4

Under the hypotheses of Theorem 1, for every sequence εk↓0\varepsilon_k \downarrow 0εk​↓0, every choice of penalized solutions (Uεk,Mεk)(U^{\varepsilon_k}, M^{\varepsilon_k})(Uεk​,Mεk​), and every limit Mεk→MM^{\varepsilon_k} \to MMεk​→M in KNT+1\mathcal K^{N_T+1}KNT​+1,

∃ U, a subsequence with Uεk→U,(U,M) solves (43)–(46).\exists\, U,\ \text{a subsequence with } U^{\varepsilon_k} \to U, \quad (U, M) \text{ solves (43)–(46)}.∃U, a subsequence with Uεk​→U,(U,M) solves (43)–(46).

If ggg is strictly convex, the whole sequence (Uεk,Mεk)(U^{\varepsilon_k}, M^{\varepsilon_k})(Uεk​,Mεk​) converges to the unique solution of (43)–(46) with ∑i,jUi,j0=0\sum_{i,j} U^0_{i,j} = 0∑i,j​Ui,j0​=0.

Milestones

  1. (13): (G5) implies max⁡i,jg(xi,j,[DhU]i,j)/∥[DhU]∥∞→+∞\max_{i,j} g(x_{i,j}, [D_hU]_{i,j}) / \|[D_hU]\|_\infty \to +\inftymaxi,j​g(xi,j​,[Dh​U]i,j​)/∥[Dh​U]∥∞​→+∞.
  2. Theorem 2: the penalized control problem (50), min⁡Θ∗(M,Z)+12εΔt∑(M0−m0)2\min \Theta^*(M,Z) + \frac{1}{2\varepsilon\Delta t}\sum(M^0 - m_0)^2minΘ∗(M,Z)+2εΔt1​∑(M0−m0​)2 under the discrete Fokker–Planck constraint, has a minimizer whose optimality system is (20)–(23).
  3. Proposition 2: max⁡i,j∣Mi,jε,0−(m0)i,j∣≤Cε1/2\max_{i,j}|M^{\varepsilon,0}_{i,j} - (m_0)_{i,j}| \le C\varepsilon^{1/2}maxi,j​∣Mi,jε,0​−(m0​)i,j​∣≤Cε1/2.
  4. Proposition 3: max⁡n,i,j∣Ui,jε,n∣≤C\max_{n,i,j}|U^{\varepsilon,n}_{i,j}| \le Cmaxn,i,j​∣Ui,jε,n​∣≤C.
  5. Corollary 1: max⁡i,j∣Mi,jε,0−(m0)i,j∣≤Cε\max_{i,j}|M^{\varepsilon,0}_{i,j} - (m_0)_{i,j}| \le C\varepsilonmaxi,j​∣Mi,jε,0​−(m0​)i,j​∣≤Cε.
  6. Proposition 1: uniqueness of MMM for (18), and of UUU normalized by ∑U0=0\sum U^0 = 0∑U0=0 when ggg is strictly convex.

In 3–5 the constant CCC depends on hhh, Δt\Delta tΔt and the data, never on ε\varepsilonε.

Significance

Proposition 4 justifies the penalized scheme as a way to compute solutions of the discrete planning problem. The penalized system has a standard initial–terminal structure that Newton's method (the paper's §4) handles well. The planning system does not, because it prescribes two conditions on MMM and none on UUU. The estimates of Propositions 2–3 and Corollary 1 also give a rate: the initial mismatch of the penalized density is O(ε)O(\varepsilon)O(ε).

The results are proved in the paper. None of them has been machine-checked: the platform holds no formalization of mean field games, of their finite-difference schemes, or of the Lasry–Lions monotonicity argument. A complete development would yield a reusable library of the monotone finite-difference operators on the discrete torus, a formal Lasry–Lions uniqueness argument for discrete MFG systems, and a template for compactness-plus-uniqueness convergence proofs in finite dimension.

Difficulty

Compactness of the densities is free, since KNT+1\mathcal K^{N_T+1}KNT​+1 is compact. Passing to the limit in the scheme needs only continuity of ggg, ∇qg\nabla_q g∇q​g and VVV. The substance lies in the two uniform estimates.

  • Bounding UεU^\varepsilonUε uniformly in ε\varepsilonε (Proposition 3) is the central difficulty. The initial condition Uε,0=(Mε,0−m0)/εU^{\varepsilon,0} = (M^{\varepsilon,0} - m_0)/\varepsilonUε,0=(Mε,0−m0​)/ε involves division by ε\varepsilonε, so the obvious bound ∣Uε,0∣≤2/(h2ε)|U^{\varepsilon,0}| \le 2/(h^2\varepsilon)∣Uε,0∣≤2/(h2ε) blows up. The comparison principle for the discrete HJB equation, which is the natural first idea, cannot repair this: it propagates whatever bound U0U^0U0 has. The HJB equation alone does not bound UεU^\varepsilonUε; the coupling with the Fokker–Planck equation, the coercivity (13), and a lower bound on Mε,0M^{\varepsilon,0}Mε,0 that is uniform in ε\varepsilonε (which is where Proposition 2 enters) all have to be used.
  • Proposition 2 compares the penalized problem with the planning problem through the convex duality of Theorem 2. It therefore needs a solution of the planning scheme, which is mission I's goal.
  • Proposition 1 needs the discrete Lasry–Lions identity, a summation by parts across the coupled system.

Formalization scope

All objects live in the namespace MFGPlanning.Penalized.

  • Grid points are ZMod Nh × ZMod Nh (periodicity is built in), time levels are Fin (NT + 1), and the four momentum components q1,…,q4q_1, \dots, q_4q1​,…,q4​ are Fin 4 indices 0, …, 3.
  • The data structure carries Nh,NT≥1N_h, N_T \ge 1Nh​,NT​≥1, T>0T > 0T>0 and ν≥0\nu \ge 0ν≥0.
  • ggg is given only at the grid points. (G2), which only defines the continuous Hamiltonian, is not encoded.
  • "Coercive" in (24) is read as superlinear.
  • Vh[M]=V(Mi,j)V_h[M] = V(M_{i,j})Vh​[M]=V(Mi,j​), as (24) prescribes.
  • Θ∗\Theta^*Θ∗ and (W+χ)∗(W+\chi)^*(W+χ)∗ take values in EReal, so unbounded suprema are +∞+\infty+∞.
  • Convergence is in the product topology, which on these finite-dimensional spaces is max⁡n∥⋅∥∞\max_n \|\cdot\|_\inftymaxn​∥⋅∥∞​ convergence.
  • "The unique solution" of (43)–(46) means unique under the normalization ∑i,jUi,j0=0\sum_{i,j} U^0_{i,j} = 0∑i,j​Ui,j0​=0, because UUU is otherwise determined only up to a constant.

Three trivializing formalizations are ruled out. The constants in Propositions 2–3 and Corollary 1 are quantified before ε\varepsilonε and before the solution. The goal quantifies over every sequence εk→0\varepsilon_k \to 0εk​→0 and assumes no convergence of UUU and no limit solution. Its part 2 does not assume convergence of MMM.

The existence of a solution of the planning scheme (Theorem 1) is posed in mission I and not restated here. A solver of Proposition 2 will need it once mission I's goal is proved. The existence and uniqueness of solutions of (20)–(23) are quoted by the paper from Achdou–Capuzzo-Dolcetta (2010) and are not items. Welcome contributions include discrete summation-by-parts lemmas on the torus, the discrete comparison principle for monotone schemes, and the Poincaré-type inequality ∥W∥∞≤c∥[DhW]∥∞\|W\|_\infty \le c\|[D_hW]\|_\infty∥W∥∞​≤c∥[Dh​W]∥∞​ on zero-mean grid functions.

Selected references

  • Y. Achdou, F. Camilli, I. Capuzzo-Dolcetta, Mean field games: numerical methods for the planning problem, HAL preprint hal-00465404v1, 2010; SIAM J. Control Optim. 50 (2012). https://hal.science/hal-00465404v1, https://doi.org/10.1137/100790069
  • Y. Achdou, I. Capuzzo-Dolcetta, Mean field games: numerical methods, SIAM J. Numer. Anal. 48 (2010) 1136–1162. https://doi.org/10.1137/090758477
  • J.-M. Lasry, P.-L. Lions, Mean field games, Japanese Journal of Mathematics 2 (2007) 229–260. https://doi.org/10.1007/s11537-007-0657-8
  • M. Huang, R. P. Malhamé, P. E. Caines, Large population stochastic dynamic games: closed-loop McKean–Vlasov systems and the Nash certainty equivalence principle, Communications in Information and Systems 6 (2006) 221–252. https://doi.org/10.4310/CIS.2006.v6.n3.a5
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Convex OptimizationPartial Differential Equations·Captain: mikedeng1

Mean Field Games: Numerical Methods for the Planning Problem I: The Discrete Planning Scheme Has a Solution, Given by a Fenchel–Rockafellar Saddle PointResearch Paper

Motivation

Mean field games (Lasry and Lions, 2006–2007; Huang, Malhamé and Caines, 2006) model the limit of a large population of identical rational agents. Each agent solves an optimal control problem whose cost depends on the distribution mmm of all agents, and the distribution is in turn transported by the agents' optimal feedback. In the continuous setting this gives a coupled system: a backward Hamilton–Jacobi equation for the value function uuu and a forward Fokker–Planck equation for the density mmm.

In the usual formulation, mmm is prescribed at the initial time and uuu at the final time. The planning problem, introduced by P.-L. Lions in his Collège de France lectures, prescribes instead both the initial density m0m_0m0​ and the final density mTm_TmT​, and asks for a cost (through uuu) that steers the population from one to the other. According to the paper (§1, pp. 2–3), Lions proved existence for the continuous planning problem in mainly two cases: ν=0\nu = 0ν=0 with a smooth, strictly convex, superlinear Hamiltonian; and ν>0\nu > 0ν>0 with H(p)=c∣p∣2H(p) = c|p|^2H(p)=c∣p∣2 or close to it. In both cases the coupling is local and the densities are smooth and bounded away from 000. Existence for ν>0\nu > 0ν>0 and more general Hamiltonians was then open, and for sublinear HHH, m0≠mTm_0\ne m_Tm0​=mT​ and short horizons there is no solution.

Achdou, Camilli and Capuzzo-Dolcetta (hal-00465404, 2010; SIAM J. Control Optim. 2012) introduced a finite-difference scheme for the planning problem and proved that the discrete system has a solution. The proof writes the scheme as the optimality system of a discrete optimal control problem, a Fokker–Planck equation driven by a control, and obtains a solution from a saddle point given by the Fenchel–Rockafellar duality theorem. This mission formalizes that existence result: Theorem 1 of §3.1 together with the lemmas on which its proof rests.

Setting

Fix integers Nh,NT≥1N_h, N_T \ge 1Nh​,NT​≥1, a horizon T>0T > 0T>0 and a viscosity ν≥0\nu \ge 0ν≥0; let h=1/Nhh = 1/N_hh=1/Nh​ and Δt=T/NT\Delta t = T/N_TΔt=T/NT​. The grid Th2\mathbb T^2_hTh2​ is the periodic Nh×NhN_h\times N_hNh​×Nh​ grid on the two-dimensional torus, with points xi,jx_{i,j}xi,j​, (i,j)∈(Z/Nh)2(i,j)\in(\mathbb Z/N_h)^2(i,j)∈(Z/Nh​)2. On grid functions UUU the scheme uses the forward differences D1+D_1^+D1+​, D2+D_2^+D2+​, the four-component discrete gradient [DhU]i,j=((D1+U)i,j,(D1+U)i−1,j,(D2+U)i,j,(D2+U)i,j−1)[D_hU]_{i,j} = ((D_1^+U)_{i,j}, (D_1^+U)_{i-1,j}, (D_2^+U)_{i,j}, (D_2^+U)_{i,j-1})[Dh​U]i,j​=((D1+​U)i,j​,(D1+​U)i−1,j​,(D2+​U)i,j​,(D2+​U)i,j−1​), the five-point Laplacian Δh\Delta_hΔh​, a discrete divergence divh\mathrm{div}_hdivh​ of four-component fields, and the transport operator B(U,M)=divh(M ∇qg(⋅,[DhU]))\mathcal B(U, M) = \mathrm{div}_h(M\,\nabla_q g(\cdot, [D_hU]))B(U,M)=divh​(M∇q​g(⋅,[Dh​U])).

A numerical Hamiltonian g(xi,j,q1,q2,q3,q4)g(x_{i,j}, q_1,q_2,q_3,q_4)g(xi,j​,q1​,q2​,q3​,q4​) is monotone (nonincreasing in q1,q3q_1, q_3q1​,q3​, nondecreasing in q2,q4q_2, q_4q2​,q4​), C1C^1C1, convex, and superlinearly coercive in the directions where monotonicity does not bound it. The coupling is local: V=W′V = W'V=W′, with WWW strictly convex, superlinear and C2C^2C2. The set K\mathcal KK consists of the discrete probability densities, h2∑i,jMi,j=1h^2\sum_{i,j}M_{i,j} = 1h2∑i,j​Mi,j​=1, M≥0M\ge 0M≥0. The discrete planning scheme (18) asks for (Un,Mn)0≤n≤NT(U^n, M^n)_{0\le n\le N_T}(Un,Mn)0≤n≤NT​​ with

Un+1−UnΔt−νΔhUn+1+g(x,[DhUn+1])=V(Mn),Mn+1−MnΔt+νΔhMn+B(Un+1,Mn)=0,\frac{U^{n+1}-U^n}{\Delta t} - \nu\Delta_hU^{n+1} + g(x,[D_hU^{n+1}]) = V(M^n),\qquad \frac{M^{n+1}-M^n}{\Delta t} + \nu\Delta_hM^n + \mathcal B(U^{n+1},M^n) = 0,ΔtUn+1−Un​−νΔh​Un+1+g(x,[Dh​Un+1])=V(Mn),ΔtMn+1−Mn​+νΔh​Mn+B(Un+1,Mn)=0,

for 0≤n<NT0\le n<N_T0≤n<NT​, with Mn∈KM^n\in\mathcal KMn∈K, M0=m0M^0 = m_0M0=m0​ and MNT=mTM^{N_T} = m_TMNT​=mT​.

The duality is set up as follows. With χ\chiχ the indicator of {m≥0}\{m\ge0\}{m≥0}, let Θ(α,β)=∑n,i,j(W+χ)∗(αi,jn+g(xi,j,[βn]i,j))\Theta(\alpha,\beta) = \sum_{n,i,j}(W+\chi)^*(\alpha^n_{i,j} + g(x_{i,j},[\beta^n]_{i,j}))Θ(α,β)=∑n,i,j​(W+χ)∗(αi,jn​+g(xi,j​,[βn]i,j​)) on dual variables (αn,βn)1≤n≤NT(\alpha^n,\beta^n)_{1\le n\le N_T}(αn,βn)1≤n≤NT​​. Let Λ(Ψ)\Lambda(\Psi)Λ(Ψ) be the linear map sending Ψ=(Ψn)0≤n≤NT\Psi = (\Psi^n)_{0\le n\le N_T}Ψ=(Ψn)0≤n≤NT​​ to the discrete Hamilton–Jacobi operator and the discrete gradient of Ψn+1\Psi^{n+1}Ψn+1. Let Σ(α,β)=F(Ψ)\Sigma(\alpha,\beta) = \mathcal F(\Psi)Σ(α,β)=F(Ψ) if (α,β)=Λ(Ψ)(\alpha,\beta) = \Lambda(\Psi)(α,β)=Λ(Ψ) with ∑Ψ0=0\sum\Psi^0 = 0∑Ψ0=0, and +∞+\infty+∞ otherwise, where F(Ψ)=1Δt(∑m0Ψ0−∑mTΨNT)\mathcal F(\Psi) = \frac1{\Delta t}(\sum m_0\Psi^0 - \sum m_T\Psi^{N_T})F(Ψ)=Δt1​(∑m0​Ψ0−∑mT​ΨNT​). The Legendre–Fenchel transforms Θ∗\Theta^*Θ∗, Σ∗\Sigma^*Σ∗ act on primal variables (Mn,Zn)0≤n<NT(M^n, Z^n)_{0\le n<N_T}(Mn,Zn)0≤n<NT​​, where MnM^nMn is paired with αn+1\alpha^{n+1}αn+1 (Remark 2).

Formalization targets

Goal: Theorem 1

Under (G1), (G3)–(G5), (24), m0,mT∈Km_0, m_T\in\mathcal Km0​,mT​∈K, m0>0m_0 > 0m0​>0, and either ν>0\nu > 0ν>0 or (ν=0\nu = 0ν=0 and mT>0m_T > 0mT​>0):

min⁡M,Z Θ∗(M,Z)+Σ∗(−M,−Z)=−min⁡α,β(Θ(α,β)+Σ(α,β))\min_{M,Z}\ \Theta^*(M,Z) + \Sigma^*(-M,-Z) = -\min_{\alpha,\beta}\big(\Theta(\alpha,\beta) + \Sigma(\alpha,\beta)\big)M,Zmin​ Θ∗(M,Z)+Σ∗(−M,−Z)=−α,βmin​(Θ(α,β)+Σ(α,β))

has a solution (M,Z)(M,Z)(M,Z), (α,β)(\alpha,\beta)(α,β) with a finite common value. Moreover (α,β)=Λ(U)(\alpha,\beta) = \Lambda(U)(α,β)=Λ(U) for some UUU, and (U,M)(U, M)(U,M), with MNT=mTM^{N_T} = m_TMNT​=mT​ appended, solves the scheme (18), with Zk,n=Mn ∂qkg(x,[DhUn+1])Z^{k,n} = M^n\,\partial_{q_k}g(x,[D_hU^{n+1}])Zk,n=Mn∂qk​​g(x,[Dh​Un+1]).

Milestones, in attack order

  1. §3.1, p. 7. VVV maps (0,∞)(0,\infty)(0,∞) onto (λ,∞)(\lambda,\infty)(λ,∞); (W+χ)∗(W+\chi)^*(W+χ)∗ is finite, convex, continuous and nondecreasing, with explicit values on and off JV\mathcal J_VJV​.
  2. Lemma 1. Θ\ThetaΘ is convex and continuous, Σ\SigmaΣ is convex and l.s.c., and Σ\SigmaΣ and Θ\ThetaΘ are both finite at some point.
  3. Lemma 2. Θ∗\Theta^*Θ∗ and Σ∗\Sigma^*Σ∗ are convex and l.s.c., with explicit formulas.
  4. (30). Σ∗(−M,−Z)\Sigma^*(-M,-Z)Σ∗(−M,−Z) is 000 on the constraint set of the control problem (26) and +∞+\infty+∞ off it.
  5. Lemma 3. If m0>0m_0 > 0m0​>0, some (M,Z)(M,Z)(M,Z) has Θ∗\Theta^*Θ∗, Σ∗(−M,−Z)\Sigma^*(-M,-Z)Σ∗(−M,−Z) finite and Θ∗\Theta^*Θ∗ finite and continuous near it.
  6. Positivity. A discrete strong maximum principle from the proof of Theorem 1: densities in K\mathcal KK that solve the discrete Fokker–Planck equation (42) are strictly positive before the final time.

Significance

Theorem 1 is the existence result for the finite-difference planning problem. It is used in the paper's second part (§3.2), where solutions of a penalized scheme, in which the final condition is relaxed into a penalty, are shown to converge to a solution of (18) as the penalty parameter vanishes. The penalized scheme is what is solved numerically. The discrete existence result covers general convex, monotone, coercive numerical Hamiltonians and every ν≥0\nu\ge0ν≥0, which includes discretizations of the continuous cases that were still open when the paper was written.

The result has a published proof. What this mission adds is a machine-checked version of it: a complete discrete model of the planning problem (grid, operators, scheme, duality functionals) and the convex-analytic chain that connects it to the Fenchel–Rockafellar theorem. As far as a search of the platform shows, no part of this has been formalized; the series' second mission formalizes the convergence of the penalized scheme on the same model.

Difficulty

Existence for a coupled forward–backward nonlinear system with conditions at both ends of the time interval is not reachable by a fixed-point or time-marching argument: the Hamilton–Jacobi equation runs backward and the Fokker–Planck equation forward, and the final density is imposed rather than computed. The approach goes through duality, and three points are delicate.

  1. All the functionals in the duality take the value +∞+\infty+∞, and Fenchel–Rockafellar needs a qualification condition on each side. Lemma 1 gives it for the dual problem; Lemma 3 gives it for the primal one, and needs m0>0m_0 > 0m0​>0 and the coercivity (G5).
  2. The optimality conditions only give a complementarity system: the Hamilton–Jacobi equation holds where Mn>0M^n > 0Mn>0 and becomes an inequality where Mn=0M^n = 0Mn=0. Recovering the scheme (18) needs the strict positivity of MnM^nMn, a discrete strong maximum principle. That principle uses the monotonicity (G1) and either diffusion or a positive final density.
  3. The bookkeeping of the time lag between primal and dual variables and of the discrete integration by parts in Σ∗\Sigma^*Σ∗ must be exact.

Formalization scope

The Lean development lives in the namespace MFGPlanning.Existence. A structure Data carries Nh,NT≥1N_h, N_T \ge 1Nh​,NT​≥1, T>0T > 0T>0, ν≥0\nu\ge0ν≥0, ggg at the grid points, WWW, m0m_0m0​ and mTm_TmT​. Committed conventions:

  • grid indices are ZMod Nh × ZMod Nh (periodic), and d=2d = 2d=2 as in the paper;
  • the components q1,…,q4q_1,\dots,q_4q1​,…,q4​ and Z1,…,Z4Z^1,\dots,Z^4Z1,…,Z4 are the Fin 4 indices 0..3;
  • time levels are Fin (NT+1) for UUU and the scheme, and Fin NT for the duality variables. M k is MkM^kMk and α k is αk+1\alpha^{k+1}αk+1 (Remark 2), and Fin.snoc M mT appends MNT=mTM^{N_T} = m_TMNT​=mT​;
  • (W+χ)∗(W+\chi)^*(W+χ)∗, Θ\ThetaΘ, Θ∗\Theta^*Θ∗, Σ\SigmaΣ, Σ∗\Sigma^*Σ∗ are EReal-valued lattice suprema and infima, so unbounded suprema are +∞+\infty+∞ and not a junk value. Convexity of an extended-valued functional is convexity of its epigraph.

Disclosed encodings:

  • (G2) is not encoded, since it only defines the continuous Hamiltonian;
  • "coercive" in (24) is read as superlinear growth W(m)/∣m∣→∞W(m)/|m|\to\inftyW(m)/∣m∣→∞, which the paper's own consequence V((0,∞))=(λ,∞)V((0,\infty)) = (\lambda,\infty)V((0,∞))=(λ,∞) requires;
  • ggg is given only at grid points;
  • the optimality conditions (32)–(33) are stated through what Theorem 1 says they are equivalent to: the scheme (18) and the relation (39).

Theorem 1 is not reducible to "the scheme (18) has a solution". The goal also asserts that the primal and dual problems attain their minima, that there is no duality gap with a finite value, and that (α,β)=Λ(U)(\alpha,\beta) = \Lambda(U)(α,β)=Λ(U). The duality functionals are never real-valued suprema, which would make (30) and (31) hold or fail for junk reasons. A complete development needs finite-dimensional convex analysis on extended-valued functions: conjugates, the Fenchel–Rockafellar theorem with attainment, and subdifferential optimality conditions. These parts are reusable well beyond this mission, and proofs of them as separate theorems are welcome.

Selected references

  • Y. Achdou, F. Camilli, I. Capuzzo-Dolcetta, Mean field games: numerical methods for the planning problem, preprint hal-00465404v1, 2010. https://hal.science/hal-00465404 ; published in SIAM J. Control Optim. 50(1), 2012. https://doi.org/10.1137/100790069
  • Y. Achdou, I. Capuzzo-Dolcetta, Mean field games: numerical methods, SIAM J. Numer. Anal. 48(3), 2010. https://doi.org/10.1137/090758477
  • J.-M. Lasry, P.-L. Lions, Mean field games, Japanese Journal of Mathematics 2(1), 2007. https://doi.org/10.1007/s11537-007-0657-8
  • I. Ekeland, R. Temam, Convex Analysis and Variational Problems, North-Holland, 1976 (SIAM Classics reprint 1999). https://doi.org/10.1137/1.9781611971088
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Linear algebraOptimization·Captain: mikedeng1

Projection-like Retractions on Matrix Manifolds V: Within Distance σ_m(X̄) of the Stiefel Manifold, the Polar Factor Is the Unique Nearest Orthonormal FrameResearch Paper

Motivation

Optimization problems with orthonormality constraints arise throughout numerical linear algebra and its applications: computing a few eigenvectors or singular vectors, Procrustes problems in statistics and shape analysis, orthogonal factor rotation, independent component analysis, and the orthogonality constraints of electronic-structure calculations. The feasible set of such a problem is the Stiefel manifold of orthonormal mmm-frames in Rn\mathbb R^nRn. Riemannian optimization algorithms on this manifold (Riemannian gradient, Newton and trust-region methods; see Absil, Mahony and Sepulchre, Optimization Algorithms on Matrix Manifolds, 2008) take a step in a tangent direction and then need a retraction: a map that brings the updated point back onto the manifold while agreeing with the geometry to first order.

The most natural way to come back to a constraint set is to take the nearest point. P.-A. Absil and J. Malick, Projection-like retractions on matrix manifolds (SIAM J. Optim. 22(1), 2012; the mission follows the authors' version, HAL hal-00651608v2), show in their Proposition 3.2 that the metric projection onto a smooth submanifold yields a retraction, and then work out the projection explicitly for several matrix manifolds. For the Stiefel manifold, their Proposition 3.4 identifies the projection with a factor of the singular value decomposition, equivalently with the orthonormal factor of the polar decomposition. The paper notes that this result was mentioned without proof in Higham's survey of matrix nearness problems, and gives a proof along the lines of Horn and Johnson, Matrix Analysis, §7.4.

Section 4.5 of the same paper treats a second, "orthographic" retraction on the Stiefel manifold, which corrects a tangent step by a normal vector instead of projecting; for the orthogonal group On\mathbf O_nOn​ (the case m=nm=nm=n) it admits a closed form through a matrix square root (Proposition 4.12).

Setting

Fix natural numbers 1≤m≤n1\le m\le n1≤m≤n. Matrices are real, and Rn×m\mathbb R^{n\times m}Rn×m carries the Frobenius norm

∥X∥2=∑i,jXij2=trace⁡(X⊤X).\|X\|^2=\sum_{i,j}X_{ij}^2=\operatorname{trace}(X^\top X).∥X∥2=i,j∑​Xij2​=trace(X⊤X).

The Stiefel manifold is

Vn,m={X∈Rn×m: X⊤X=Im},V_{n,m}=\{X\in\mathbb R^{n\times m}:\ X^\top X=I_m\},Vn,m​={X∈Rn×m: X⊤X=Im​},

the set of matrices with orthonormal columns; Vn,nV_{n,n}Vn,n​ is the orthogonal group On\mathbf O_nOn​.

The singular values of XXX are σ1(X)≥σ2(X)≥⋯≥σmin⁡{n,m}(X)≥0\sigma_1(X)\ge\sigma_2(X)\ge\dots\ge\sigma_{\min\{n,m\}}(X)\ge0σ1​(X)≥σ2​(X)≥⋯≥σmin{n,m}​(X)≥0, the square roots of the eigenvalues of X⊤XX^\top XX⊤X. A singular value decomposition of XXX is a factorization X=UΣV⊤X=U\Sigma V^\topX=UΣV⊤ with U=[u1,…,un]∈OnU=[u_1,\dots,u_n]\in\mathbf O_nU=[u1​,…,un​]∈On​, V=[v1,…,vm]∈OmV=[v_1,\dots,v_m]\in\mathbf O_mV=[v1​,…,vm​]∈Om​, and Σ∈Rn×m\Sigma\in\mathbb R^{n\times m}Σ∈Rn×m zero off its diagonal, with nonnegative nonincreasing diagonal entries. For Xˉ∈Vn,m\bar X\in V_{n,m}Xˉ∈Vn,m​ every singular value equals 111; in particular σm(Xˉ)=1\sigma_m(\bar X)=1σm​(Xˉ)=1.

A projection of XXX onto Vn,mV_{n,m}Vn,m​ is a point Y∈Vn,mY\in V_{n,m}Y∈Vn,m​ with ∥X−Y∥≤∥X−Z∥\|X-Y\|\le\|X-Z\|∥X−Y∥≤∥X−Z∥ for all Z∈Vn,mZ\in V_{n,m}Z∈Vn,m​. A polar decomposition of XXX is a factorization X=WSX=WSX=WS with W∈Vn,mW\in V_{n,m}W∈Vn,m​ and S∈Rm×mS\in\mathbb R^{m\times m}S∈Rm×m symmetric positive definite.

Formalization targets

Goal: Proposition 3.4 (p. 10)

Let Xˉ∈Vn,m\bar X\in V_{n,m}Xˉ∈Vn,m​ and let XXX satisfy ∥X−Xˉ∥<σm(Xˉ)\|X-\bar X\|<\sigma_m(\bar X)∥X−Xˉ∥<σm​(Xˉ). For every singular value decomposition X=UΣV⊤X=U\Sigma V^\topX=UΣV⊤,

{ Y: Y is a projection of X onto Vn,m }={∑i=1muivi⊤},\{\,Y:\ Y\text{ is a projection of }X\text{ onto }V_{n,m}\,\}=\Big\{\sum_{i=1}^m u_iv_i^\top\Big\},{Y: Y is a projection of X onto Vn,m​}={i=1∑m​ui​vi⊤​},

and ∑i=1muivi⊤\sum_{i=1}^m u_iv_i^\top∑i=1m​ui​vi⊤​ is the WWW of the polar decomposition X=WSX=WSX=WS: it is the orthonormal factor of every polar decomposition of XXX, and a polar decomposition with this factor exists.

The statement asserts existence, uniqueness and the closed form of the projection on the whole open ball of radius σm(Xˉ)\sigma_m(\bar X)σm​(Xˉ), for whichever singular value decomposition is supplied.

Steps of the proof (milestones)

  1. For Y∈Vn,mY\in V_{n,m}Y∈Vn,m​: ∥X−Y∥2=∥X∥2+m−2trace⁡(Y⊤X)\|X-Y\|^2=\|X\|^2+m-2\operatorname{trace}(Y^\top X)∥X−Y∥2=∥X∥2+m−2trace(Y⊤X).
  2. For every Y∈Vn,mY\in V_{n,m}Y∈Vn,m​, trace⁡(Y⊤X)≤∑i=1mσi\operatorname{trace}(Y^\top X)\le\sum_{i=1}^m\sigma_itrace(Y⊤X)≤∑i=1m​σi​, with equality at Y=∑i=1muivi⊤Y=\sum_{i=1}^m u_iv_i^\topY=∑i=1m​ui​vi⊤​.
  3. If ∥X−Xˉ∥<σm(Xˉ)\|X-\bar X\|<\sigma_m(\bar X)∥X−Xˉ∥<σm​(Xˉ) with Xˉ∈Vn,m\bar X\in V_{n,m}Xˉ∈Vn,m​, then XXX has full rank mmm.
  4. The polar factor of a full-rank matrix is unique (Horn and Johnson, Theorem 7.3.2).

Further items (§4.5)

(S+I)2=I−Ω⊤Ω(4.14)(S+I)^2=I-\Omega^\top\Omega \tag{4.14}(S+I)2=I−Ω⊤Ω(4.14)

for X∈OnX\in\mathbf O_nX∈On​, Ω\OmegaΩ skew-symmetric and SSS symmetric with X+XΩ+XS∈OnX+X\Omega+XS\in\mathbf O_nX+XΩ+XS∈On​; and Proposition 4.12,

R(X,XΩ)=X(Ω+I−Ω⊤Ω),R(X,X\Omega)=X\big(\Omega+\sqrt{I-\Omega^\top\Omega}\big),R(X,XΩ)=X(Ω+I−Ω⊤Ω​),

stated as: S+=−I+I−Ω⊤ΩS_+=-I+\sqrt{I-\Omega^\top\Omega}S+​=−I+I−Ω⊤Ω​ is the unique symmetric correction of smallest Frobenius norm.

Significance

Proposition 3.4 makes the projective retraction on the Stiefel manifold computable from one singular value decomposition of an n×mn\times mn×m matrix, and identifies it with the polar factor, which is also what many numerical codes already compute for re-orthonormalization. Combined with Proposition 3.2 of the paper, it yields a second-order-accurate retraction usable in any Riemannian algorithm on Vn,mV_{n,m}Vn,m​. The same statement is the orthogonal Procrustes problem in the special case of a full-rank target: the nearest orthonormal frame to XXX.

The result is classical and proved; the paper's argument is short but cites two external facts (Weyl's perturbation bound for singular values and the uniqueness of the polar decomposition). To our knowledge no machine-checked proof of the nearest-orthonormal-frame property, of the uniqueness of the polar factor, or of the closed form of Proposition 4.12 exists in Mathlib or on this platform. A formalization produces reusable pieces: the trace inequality over the Stiefel manifold, the uniqueness of the polar decomposition, and the full-rank property near Vn,mV_{n,m}Vn,m​, all of which recur in matrix analysis and in the analysis of Riemannian algorithms.

Difficulty

Existence of a nearest point is easy (the Stiefel manifold is compact), and attainment of the trace bound is a direct computation. The content is in two places. First, the bound trace⁡(Y⊤X)≤∑iσi\operatorname{trace}(Y^\top X)\le\sum_i\sigma_itrace(Y⊤X)≤∑i​σi​ for every Y∈Vn,mY\in V_{n,m}Y∈Vn,m​ requires transporting YYY by the orthogonal factors of the singular value decomposition and bounding diagonal entries of a matrix with orthonormal columns. Second, uniqueness does not follow from the trace argument: when XXX is rank deficient there are many maximizers. Uniqueness needs both a perturbation bound (singular values are 1-Lipschitz in the Frobenius norm, so σm(X)>0\sigma_m(X)>0σm​(X)>0 near Xˉ\bar XXˉ) and the uniqueness of the polar factor, which in turn rests on the uniqueness of the positive-semidefinite square root of X⊤XX^\top XX⊤X. Mathlib has singular values of linear maps and the spectral theorem but, at the pinned revision, neither Weyl's inequality for singular values nor the polar decomposition.

For Proposition 4.12, the printed proof compares only two solutions S±S_\pmS±​ of (4.14), while (4.14) has other symmetric solutions (mixed signs of the square roots, or non-diagonal ones on repeated eigenvalues); minimality must be proved against all of them.

Formalization scope

Matrices are Matrix (Fin n) (Fin m) ℝ with the Frobenius norm brought in by open scoped Matrix.Norms.Frobenius. The Stiefel manifold is the set stiefel n m of matrices with Xᵀ * X = 1. Singular values are Mathlib's LinearMap.singularValues of Matrix.toEuclideanLin X, re-indexed to be 1-based as on the page (sv X m is σm(X)\sigma_m(X)σm​(X)). A singular value decomposition is the predicate IsSVD X U S V of display (3.5), and ∑i=1muivi⊤\sum_{i=1}^m u_iv_i^\top∑i=1m​ui​vi⊤​ is U * E * Vᵀ with E the n×mn\times mn×m rectangular identity (frameOfSVD U V). The projection is the set of nearest points, using the published predicate RandomGradFree.Nonsmooth.IsMetricProjection; "exists and is unique" is equality of that set with a singleton. Positive definiteness is Mathlib's Matrix.PosDef, which over R\mathbb RR includes symmetry.

Standing assumptions and added hypotheses: m≤nm\le nm≤n is the page's assumption of §3.3; 0<m0<m0<m is added so that σm\sigma_mσm​ is meaningful. The radius is σm(Xˉ)\sigma_m(\bar X)σm​(Xˉ) with strict inequality, kept in that form although its value is 111. Two misprints of the page are corrected in the Lean and kept in the verbatim milestone texts: the display of Proposition 3.4 reads PRr(X)P_{\mathcal R_r}(X)PRr​​(X) for PVn,m(X)P_{V_{n,m}}(X)PVn,m​​(X), and the distance identity reads m2m^2m2 for mmm. The uniqueness of the polar factor is stated for positive semidefinite factors under the rank hypothesis, which contains the positive definite case of Proposition 3.4. The matrix square root of §4.5 is defined through Mathlib's spectral theorem; Proposition 4.12 is stated for every admissible symmetric correction, and is vacuous only when no symmetric correction exists.

A trivializing formalization is ruled out: the projection is not taken as a hypothesis or chosen by definition; the goal asserts that the nearest-point set equals the singleton of the explicit matrix, for every singular value decomposition supplied, so neither existence nor uniqueness can be assumed away.

Contributions welcome beyond the stated items: Weyl's inequality ∣σi(X)−σi(Y)∣≤∥X−Y∥|\sigma_i(X)-\sigma_i(Y)|\le\|X-Y\|∣σi​(X)−σi​(Y)∣≤∥X−Y∥ in Mathlib's singular-value API, existence of a singular value decomposition in the matrix form (3.5), and the polar decomposition with its uniqueness, all reusable well beyond this mission.

Selected references

  • P.-A. Absil and J. Malick, Projection-like retractions on matrix manifolds, SIAM J. Optim. 22(1):135–158, 2012. https://doi.org/10.1137/100802529 ; authors' version https://hal.science/hal-00651608v2
  • P.-A. Absil, R. Mahony and R. Sepulchre, Optimization Algorithms on Matrix Manifolds, Princeton University Press, 2008. https://doi.org/10.1515/9781400830244
  • R. A. Horn and C. R. Johnson, Matrix Analysis, Cambridge University Press, 1985 (cited by the paper in its 1989 printing) (Theorem 7.3.2, §7.4). https://doi.org/10.1017/CBO9780511810817
  • N. J. Higham, Matrix nearness problems and applications, in Applications of Matrix Theory (M. J. C. Gover and S. Barnett, eds.), Oxford University Press, 1989, pp. 1–27 (cited by the paper as [15, §4]; no DOI).
  • A. Edelman, T. A. Arias and S. T. Smith, The geometry of algorithms with orthogonality constraints, SIAM J. Matrix Anal. Appl. 20(2):303–353, 1998. https://doi.org/10.1137/S0895479895290954
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AnalysisFunctional Analysis·Captain: mikedeng1

Theory of Reproducing Kernels VI: The Projection onto the Closed Sum of Two Subspaces as a Series in the Two ProjectionsResearch Paper

Motivation

An orthogonal projection onto a closed subspace is straightforward to describe when that subspace is given directly. It is less straightforward when the subspace is specified as the closed sum of two others: a vector can have contributions from both, and the two component projections generally do not commute. In §12 of Aronszajn's 1950 paper, this problem arises while expressing the reproducing kernel of a sum of two closed subspaces of a reproducing-kernel Hilbert space through their individual kernels. The projection formula is the analytic heart of that calculation. It also gives a series whose finite partial sums can be applied without first describing a basis for the closed sum.

Aronszajn states the result for closed subspaces of a complex Hilbert space of functions. The projection identity itself uses only Hilbert-space geometry; evaluation at a point and the reproducing property enter when the operator formula is translated into a kernel formula later in the section. This mission isolates the projection theorem so that the same formal result can be used both in that kernel calculation and in other settings with two closed subspaces.

Setting

Let EEE be a complex Hilbert space and let F1,F2F_1,F_2F1​,F2​ be closed linear subspaces. The algebraic sum F1+F2F_1+F_2F1​+F2​ is the set of all f1+f2f_1+f_2f1​+f2​ with fi∈Fif_i\in F_ifi​∈Fi​. It need not be closed. Write F′=F1+F2‾F'=\overline{F_1+F_2}F′=F1​+F2​​ for its closure and F0=F1∩F2F_0=F_1\cap F_2F0​=F1​∩F2​ for the intersection. All four subspaces are closed except possibly the algebraic sum itself. Let P1,P2,P,P0P_1,P_2,P,P_0P1​,P2​,P,P0​ be the orthogonal projections onto F1,F2,F′,F0F_1,F_2,F',F_0F1​,F2​,F′,F0​, respectively. Operator products denote composition, with the rightmost factor applied first; (P2P1)0(P_2P_1)^0(P2​P1​)0 is the identity.

The paper writes F1⊕F2F_1\oplus F_2F1​⊕F2​ for F′F'F′, even when F0F_0F0​ is nonzero, and uses a distinct dotted plus for the algebraic sum. These symbols can look like a direct sum in newer notation. Here the definitions of F′F'F′ and F0F_0F0​ remove that ambiguity. Aronszajn assumes complex scalars throughout Part I after §1, p. 343; the statements below keep that convention. Neither a topology on an underlying set of functions nor a measure is part of these operator assertions.

Formalization targets

The goal is the strong projection series, §12, Eq. (7). For each f∈Ef\in Ef∈E,

Pf=P0f+∑k=1∞[P1(P2P1)k−1+P2(P1P2)k−1−(P2P1)k−(P1P2)k]f.Pf=P_0f+\sum_{k=1}^{\infty}\left[P_1(P_2P_1)^{k-1}+P_2(P_1P_2)^{k-1}-(P_2P_1)^k-(P_1P_2)^k\right]f.Pf=P0​f+k=1∑∞​[P1​(P2​P1​)k−1+P2​(P1​P2​)k−1−(P2​P1​)k−(P1​P2​)k]f.

The sum means that its finite partial sums converge in the norm of EEE for each fixed fff. No operator-norm limit is claimed. The first term of the sum, at k=1k=1k=1, includes P1+P2−P2P1−P1P2P_1+P_2-P_2P_1-P_1P_2P1​+P2​−P2​P1​−P1​P2​ because both zero powers are identity operators.

Three source statements are milestones. Equation (1) is a finite identity that expresses a power of (P−P1)(P−P2)(P-P_1)(P-P_2)(P−P1​)(P−P2​) through a partial sum and a power of P2P1P_2P_1P2​P1​. The paragraph following Eq. (4) identifies the strong limit of (P2P1)m(P_2P_1)^m(P2​P1​)m as P0P_0P0​. The paragraph before Eq. (7) asserts that [(P−P1)(P−P2)]m[(P-P_1)(P-P_2)]^m[(P−P1​)(P−P2​)]m tends strongly to zero. Together these statements specify the finite and limiting parts of the displayed target. They require no assumption that F0F_0F0​ is zero.

Significance

The formula describes the orthogonal projection onto a closed sum in terms of projections onto its two constituents. In Aronszajn's application, an orthogonal projection on a closed subspace determines that subspace's reproducing kernel; therefore the operator expansion supplies a kernel expansion without constructing a basis of the sum. It also makes explicit why an intersection term survives when the subspaces overlap. The result is proved in the 1950 paper; this mission asks for a Lean proof of that known result, with its convergence mode and closure convention made explicit.

A machine-checked development would provide a reusable complex-Hilbert-space statement for alternating projections and closed sums. Mathlib already provides closed submodules and their orthogonal projections, so the new contribution is the finite identity and the strong-limit claims connecting them. The resulting theorem can support the paper's later kernel expression, §12, Eq. (18), once the correspondence between bounded operators and kernels from §11 is available. Equation (18) is outside this mission's target list.

Difficulty

The algebraic sum of two closed subspaces can fail to be closed, so projecting onto it directly would leave the target undefined as a Hilbert-space orthogonal projection. Passing to its closure gives the correct target but does not imply the two projections commute or that their product has a uniform contraction factor. In particular, strong convergence of the powers and of the final series does not generally improve to convergence in operator norm. The later special case in §12, where the intersection is zero and the minimal angle is positive, has a stronger uniform-convergence conclusion; that extra angle condition is absent from Eq. (7).

The finite formula also has four terms per summand whose order matters. Reversing P1P2P_1P_2P1​P2​ and P2P1P_2P_1P2​P1​, beginning the power at kkk rather than k−1k-1k−1, or omitting P0P_0P0​ changes the statement. Even a proof of pointwise convergence of each selected term would not by itself establish the convergence of the bracketed partial sums in the target.

Formalization scope

The Lean representation is an arbitrary complex Hilbert space E with two ClosedSubmodule ℂ E objects. Mathlib's Submodule.starProjection supplies P1P_1P1​ and P2P_2P2​. Two small definitions name PPP as projection onto the join of the closed submodules and P0P_0P0​ as projection onto their meet. The closed-submodule join is the closure of the algebraic sum; the meet is the intersection. These definitions are computed from F1,F2F_1,F_2F1​,F2​, not independently quantified projections. The theorem quantifies over every vector fff and uses Filter.Tendsto along natural-number partial sums, giving norm convergence of the resulting vectors.

The source's ambient class has a reproducing kernel, but no step in Eqs. (1)–(7) uses point evaluations. The formal statements therefore apply to any complex Hilbert space, including the paper's RKHS. The stronger scope is explicit here and does not assert a new kernel identity. The mmm-th Lean partial sum uses indices 0,…,m−10,\ldots,m-10,…,m−1 for the paper's 1,…,m1,\ldots,m1,…,m; it has the same terms and is defined at m=0m=0m=0 as P0fP_0fP0​f. The finite identity is stated only for m≥1m\ge1m≥1, as its m=0m=0m=0 version is false in general.

Eq. (1) on p. 375 is printed without the opening bracket of the summand (only the closing bracket appears); the formalization reads it as in Eq. (4) on p. 376, where both brackets are printed. There are two printing slips on p. 377: a running sentence drops brackets from the power of (P−P1)(P−P2)(P-P_1)(P-P_2)(P−P1​)(P−P2​), and it prints P⊖P2P\ominus P_2P⊖P2​ while discussing the projection P−P2P-P_2P−P2​. The formalization follows the bracketed expression in Eqs. (1) and (4), using ordinary operator subtraction. The corresponding milestone preserves the printed wording. No assumption from the later angle analysis, especially F0={0}F_0=\{0\}F0​={0}, is imported into these results. The series is stated through actual partial sums; it is not defined by an arbitrary RKHS chosen to have a desired kernel.

Selected references

  • N. Aronszajn, Theory of Reproducing Kernels, Transactions of the American Mathematical Society 68 (1950), 337–404, §12, pp. 375–380. DOI: 10.1090/S0002-9947-1950-0051437-7.
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Markov ChainOperations ResearchProbability+1·Captain: mikedeng1

Fundamentals of Queueing Theory X: Uniformization of Continuous-Time Markov ChainsTextbook

Motivation

Most Markovian queueing models have no closed-form transient solution. The M/M/1 queue already needs modified Bessel functions (Chapter 2 of the book), and a finite-capacity or multi-class model with state-dependent rates has no closed form at all. What an analyst can always write down is the system of forward equations p′(t)=p(t)Qp'(t)=p(t)Qp′(t)=p(t)Q for the state probabilities. Chapter 8 of Gross, Shortle, Thompson and Harris, Fundamentals of Queueing Theory (4th ed., Wiley 2008, DOI 10.1002/9781118625651), presents two numerical techniques that turn such models into numbers: the randomization (or uniformization) method for the transient distribution of a finite continuous-time Markov chain, and the Fourier-series method for inverting a Laplace transform, as needed for the M/G/1 waiting-time transform (5.33) and the busy-period transform (5.37).

Uniformization goes back to Jensen (1953) and is the standard transient solver in performance-evaluation and reliability tools. Its appeal is that it replaces a matrix exponential, which is numerically delicate, by powers of a stochastic matrix weighted by Poisson probabilities, with an error bound that can be fixed before the computation starts (Grassmann 1977; Gross and Miller 1984). The Fourier-series method with Euler summation is due to Abate and Whitt (Abate and Whitt 1992; Abate, Choudhury and Whitt 1999).

Setting

A continuous-time Markov chain X(t)X(t)X(t) on the states {0,1,…,N}\{0,1,\dots,N\}{0,1,…,N} is described by its infinitesimal generator Q=(qij)Q=(q_{ij})Q=(qij​): for i≠ji\ne ji=j, qij≥0q_{ij}\ge0qij​≥0 is the rate of jumps from iii to jjj, and the diagonal entry is −qi-q_i−qi​ with

qi=∑j≠iqij,i=0,1,…,N.q_i=\sum_{j\ne i}q_{ij},\qquad i=0,1,\dots,N.qi​=j=i∑​qij​,i=0,1,…,N.

The transient state-probability vector p(t)=(p0(t),…,pN(t))p(t)=(p_0(t),\dots,p_N(t))p(t)=(p0​(t),…,pN​(t)), pn(t)=Pr⁡{X(t)=n}p_n(t)=\Pr\{X(t)=n\}pn​(t)=Pr{X(t)=n}, is the solution of the forward equations

p′(t)=p(t)Q(t≥0),p'(t)=p(t)Q\quad(t\ge0),p′(t)=p(t)Q(t≥0),

started from a given probability vector p(0)p(0)p(0). Fix a constant Λ>0\Lambda>0Λ>0 with Λ≥qi\Lambda\ge q_iΛ≥qi​ for every iii (the book takes Λ=max⁡iqi\Lambda=\max_i q_iΛ=maxi​qi​) and define the uniformized matrix

P~=QΛ+I,p~in={qin/Λ(i≠n),1−qi/Λ(i=n).\tilde P=\frac{Q}{\Lambda}+I,\qquad \tilde p_{in}=\begin{cases}q_{in}/\Lambda&(i\ne n),\\1-q_i/\Lambda&(i=n).\end{cases}P~=ΛQ​+I,p~​in​={qin​/Λ1−qi​/Λ​(i=n),(i=n).​

It is the transition matrix of a discrete-time chain YkY_kYk​: the state of XXX after the kkk-th event of a Poisson process of rate Λ\LambdaΛ that has been thinned. Write ϕ(k)=p(0)P~k\phi^{(k)}=p(0)\tilde P^{k}ϕ(k)=p(0)P~k for its distribution after kkk steps.

For the second half of the chapter, the Laplace transform of a real function fff on [0,∞)[0,\infty)[0,∞) is fˉ(s)=∫0∞e−stf(t) dt\bar f(s)=\int_0^\infty e^{-st}f(t)\,dtfˉ​(s)=∫0∞​e−stf(t)dt, and the Fourier-series approximant with parameter AAA is

fA,n(t)=eA/22t[fˉ(A2t)+2∑k=1n(−1)k Re fˉ(A+2kπi2t)],f_{A,n}(t)=\frac{e^{A/2}}{2t}\Big[\bar f\Big(\frac{A}{2t}\Big)+2\sum_{k=1}^{n}(-1)^k\,\mathrm{Re}\,\bar f\Big(\frac{A+2k\pi i}{2t}\Big)\Big],fA,n​(t)=2teA/2​[fˉ​(2tA​)+2k=1∑n​(−1)kRefˉ​(2tA+2kπi​)],

with fA(t)=lim⁡n→∞fA,n(t)f_A(t)=\lim_{n\to\infty}f_{A,n}(t)fA​(t)=limn→∞​fA,n​(t).

Formalization targets

Goal: the randomization formula with its truncation bound (Eqs. (8.9)–(8.12))

The forward equations have a solution, and every solution satisfies, for all t≥0t\ge0t≥0,

p(t)=∑k=0∞p(0)P~(k) e−Λt(Λt)kk!,p(t)=\sum_{k=0}^{\infty}p(0)\tilde P^{(k)}\,\frac{e^{-\Lambda t}(\Lambda t)^k}{k!},p(t)=k=0∑∞​p(0)P~(k)k!e−Λt(Λt)k​,

and whenever ∑k=0Te−Λt(Λt)k/k!>1−ϵ\sum_{k=0}^{T}e^{-\Lambda t}(\Lambda t)^k/k!>1-\epsilon∑k=0T​e−Λt(Λt)k/k!>1−ϵ, every component of the sum truncated at k=Tk=Tk=T is within ϵ\epsilonϵ of pn(t)p_n(t)pn​(t).

Milestones

  1. Eq. (8.12): P~\tilde PP~ has the entries above and is a stochastic matrix.
  2. Eqs. (8.13)–(8.14): ϕ(k)=ϕ(k−1)P~\phi^{(k)}=\phi^{(k-1)}\tilde Pϕ(k)=ϕ(k−1)P~ and each ϕ(k)\phi^{(k)}ϕ(k) is a probability vector.
  3. p.385: ϕ=ϕP~  ⟺  0=ϕQ\phi=\phi\tilde P\iff0=\phi Qϕ=ϕP~⟺0=ϕQ.
  4. Eqs. (8.27)–(8.28): for bounded Lipschitz fff, A>0A>0A>0 and t>0t>0t>0,
fA(t)−f(t)=∑k=1∞e−kAf((2k+1)t),∣fA(t)−f(t)∣≤Ce−A1−e−A  if ∣f(x)∣≤C for x>3t.f_A(t)-f(t)=\sum_{k=1}^{\infty}e^{-kA}f\big((2k+1)t\big),\qquad |f_A(t)-f(t)|\le\frac{Ce^{-A}}{1-e^{-A}}\ \text{ if } |f(x)|\le C \text{ for } x>3t.fA​(t)−f(t)=k=1∑∞​e−kAf((2k+1)t),∣fA​(t)−f(t)∣≤1−e−ACe−A​  if ∣f(x)∣≤C for x>3t.

The mission also contains Eqs. (8.7)–(8.8) as a further theorem, outside the milestone list: the transition probabilities satisfy pin(t)=∑kp~in(k)e−Λt(Λt)k/k!p_{in}(t)=\sum_k\tilde p^{(k)}_{in}e^{-\Lambda t}(\Lambda t)^k/k!pin​(t)=∑k​p~​in(k)​e−Λt(Λt)k/k!, and pn(t)=∑ipi(0)pin(t)p_n(t)=\sum_i p_i(0)p_{in}(t)pn​(t)=∑i​pi​(0)pin​(t).

Significance

The randomization formula reduces the transient analysis of any finite Markovian queue (finite-buffer, multi-server, with balking, reneging or state-dependent rates) to repeated vector–matrix products with a sparse stochastic matrix. The truncation point is chosen from a Poisson tail alone, independently of QQQ. Milestone 3 shows that the same matrix gives the stationary equations, so one iteration serves both transient and steady-state computation. The discretization identity (8.27) is what justifies the parameter choice in Algorithm 8.1: the error decays like e−Ae^{-A}e−A.

All of these results are classical and proved in the literature. None of them is formalized in Lean or Mathlib as far as a search of the platform and Mathlib shows. Mathlib has the matrix exponential and Poisson summation under decay hypotheses, but no continuous-time Markov chain generators, no uniformization, and no Laplace transform. This mission would add the finite-state link between generators, stochastic matrices and matrix exponentials that later chapters of queueing and reliability theory use, and a verified error formula for a numerical inversion method in wide use.

Difficulty

The book's derivation is probabilistic: it conditions on the number of events of the Poisson(Λ\LambdaΛ) process and thins them. A formal statement cannot rest on that picture, because p(t)p(t)p(t) is defined analytically, by the forward equations. The goal therefore contains a uniqueness statement for a linear ODE on [0,∞)[0,\infty)[0,∞) with one-sided derivative at 000, which the book never mentions. The componentwise bound then needs P~\tilde PP~ to be stochastic, so that every ϕn(k)\phi^{(k)}_nϕn(k)​ lies in [0,1][0,1][0,1]. That is exactly where Λ≥max⁡iqi\Lambda\ge\max_i q_iΛ≥maxi​qi​ is used; with a smaller Λ\LambdaΛ the matrix P~\tilde PP~ has negative diagonal entries and the bound fails.

For (8.27), the book gives no proof. The identity is an aliasing (Poisson-summation) formula for a periodic function assembled from the values of fff at all odd multiples of ttt. The convergence of the conditionally summed series (8.24) is the delicate point: continuity of fff at ttt, the book's only hypothesis, does not guarantee convergence of a Fourier series. Mathlib's Poisson summation theorems require decay of the Fourier transform that the damped, reflected function built from fff does not have.

Formalization scope

  • States are Fin (N+1); a row vector is Fin (N+1) → ℝ; pQpQpQ is vecMul. A generator is a real matrix with nonnegative off-diagonal entries and diagonal −∑j≠iqij-\sum_{j\ne i}q_{ij}−∑j=i​qij​.
  • p(t)p(t)p(t) is not defined as the series. It is any function with p(0)=p0p(0)=p_0p(0)=p0​ and one-sided derivative p(t)Qp(t)Qp(t)Q within [0,∞)[0,\infty)[0,∞) at every t≥0t\ge0t≥0. The goal also asserts that such a function exists, so it cannot hold vacuously, and it asserts the series identity for every solution. Defining p(t)p(t)p(t) as the series (8.9) would make the goal a tautology and is ruled out.
  • Λ\LambdaΛ is any real with Λ>0\Lambda>0Λ>0 and Λ≥qi\Lambda\ge q_iΛ≥qi​ for all iii (the book takes equality with max⁡iqi\max_i q_imaxi​qi​).
  • The truncation bound is stated componentwise, as on p.384 ("an error bound on pn(t)p_n(t)pn​(t) of ϵ\epsilonϵ"), for an arbitrary real ϵ\epsilonϵ and truncation point TTT.
  • The series (8.8), (8.9) are stated with HasSum, so convergence is part of the claim.
  • The Laplace transform is the Lebesgue integral over (0,∞)(0,\infty)(0,∞) at a complex argument. fA(t)f_A(t)fA​(t) is the limit of the partial sums fA,n(t)f_{A,n}(t)fA,n​(t), and the convergence is part of milestone 4.
  • Strengthened hypotheses in milestone 4: fff bounded and Lipschitz on [0,∞)[0,\infty)[0,∞) replaces "ttt is a continuity point of fff", which is not sufficient for convergence.
  • Corrected misprints: e−λte^{-\lambda t}e−λt in (8.9) is e−Λte^{-\Lambda t}e−Λt; qij/Λq_{ij}/\Lambdaqij​/Λ in (8.12) is qin/Λq_{in}/\Lambdaqin​/Λ; ϕ(Q/Λ−I)\phi(Q/\Lambda-I)ϕ(Q/Λ−I) on p.385 is ϕ(Q/Λ+I)\phi(Q/\Lambda+I)ϕ(Q/Λ+I).
  • Not formalized: Theorem 8.1 (Bromwich inversion) and the real form (8.21), which the book states without hypotheses on fff; the limit claim lim⁡kϕ(k)=lim⁡tp(t)\lim_k\phi^{(k)}=\lim_t p(t)limk​ϕ(k)=limt​p(t) on p.385, which fails when P~\tilde PP~ is periodic; the Euler-summation approximation (8.26) and the round-off discussion, which are stated with "≈".

Useful infrastructure: the matrix exponential and its derivative (Matrix, NormedSpace.exp), uniqueness for linear ODEs (Grönwall), Fourier series on the circle, and a reusable Laplace transform file. Contributions of general lemmas on generators and stochastic matrices are welcome, as they apply to every finite Markovian model in the series.

Selected references

  • D. Gross, J. F. Shortle, J. M. Thompson, C. M. Harris, Fundamentals of Queueing Theory, 4th ed., Wiley, 2008, §§8.1.2–8.2. https://doi.org/10.1002/9781118625651
  • A. Jensen, "Markoff chains as an aid in the study of Markoff processes", Skandinavisk Aktuarietidskrift 36 (1953) 87–91.
  • W. K. Grassmann, "Transient solutions in Markovian queueing systems", Computers & Operations Research 4 (1977) 47–53.
  • D. Gross, D. R. Miller, "The randomization technique as a modeling tool and solution procedure for transient Markov processes", Operations Research 32 (1984) 343–361. https://doi.org/10.1287/opre.32.2.343
  • J. Abate, W. Whitt, "The Fourier-series method for inverting transforms of probability distributions", Queueing Systems 10 (1992) 5–87. https://doi.org/10.1007/BF01158520
  • J. Abate, G. L. Choudhury, W. Whitt, "An introduction to numerical transform inversion and its application to probability models", in W. Grassmann (ed.), Computational Probability, Kluwer, 1999, 257–323.
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Convex OptimizationOperations ResearchOptimization·Captain: mikedeng1

A New Projection Method for Variational Inequality Problems: The Hyperplane Projection Method Converges to a Solution Under Continuity and Generalized MonotonicityResearch Paper

Motivation

A variational inequality asks for a point of a convex set at which a vector field points "inward" against every feasible direction. The format covers the first-order optimality conditions of constrained optimization, nonlinear complementarity problems, traffic and economic equilibria (Wardrop, Walrasian, Nash–Cournot), and systems of nonlinear equations; see Harker and Pang's survey (Math. Programming 48, 1990) and Facchinei and Pang's monograph (Springer, 2003).

When the map has no special structure (not strongly monotone, not Lipschitz with known constant, not affine) and the feasible set is a general closed convex set, the practical algorithms are projection methods. The oldest is Korpelevich's extragradient method (1976). Without a known Lipschitz constant, extragradient-type methods need a linesearch in which every trial point costs one projection onto the feasible set, and projection onto a general convex set is itself an optimization problem.

Solodov and Svaiter (SIAM J. Control Optim. 37 (1999) 765–776) proposed a method that spends exactly two projections per iteration, whatever the linesearch does, and proved global convergence under only continuity of the map and a generalized monotonicity condition weaker than pseudomonotonicity. The method, often called the hyperplane projection method, is a standard reference point for later projection and extragradient-type algorithms.

Timeline:

  • 1976: Korpelevich, extragradient method, Lipschitz monotone maps.
  • 1987–1994: Khobotov (1987), Iusem (1994) and others: extragradient variants with Armijo-type stepsize rules, which need one projection per trial step.
  • 1997: Iusem and Svaiter, a separating-hyperplane variant of extragradient for monotone maps (reference [9] of the paper).
  • 1999: Solodov and Svaiter, Algorithm 2.1: two projections per iteration, convergence under condition (1.2) below.

Setting

Work in Rn\mathbb{R}^nRn with the Euclidean inner product ⟨⋅,⋅⟩\langle\cdot,\cdot\rangle⟨⋅,⋅⟩ and norm ∥⋅∥\|\cdot\|∥⋅∥. Let C⊆RnC \subseteq \mathbb{R}^nC⊆Rn be closed and convex and F:Rn→RnF : \mathbb{R}^n \to \mathbb{R}^nF:Rn→Rn continuous. The problem VI(F,C)\mathrm{VI}(F, C)VI(F,C) is to find x∗x^*x∗ with

x∗∈C,⟨F(x∗),x−x∗⟩≥0for all x∈C.(1.1)x^* \in C, \qquad \langle F(x^*), x - x^*\rangle \ge 0 \quad \text{for all } x \in C. \tag{1.1}x∗∈C,⟨F(x∗),x−x∗⟩≥0for all x∈C.(1.1)

Its solution set is SSS. The projection onto a nonempty closed convex set KKK is PK[x]:=arg⁡min⁡y∈K∥y−x∥P_K[x] := \arg\min_{y \in K}\|y - x\|PK​[x]:=argminy∈K​∥y−x∥. The projected residual is r(x):=x−PC[x−F(x)]r(x) := x - P_C[x - F(x)]r(x):=x−PC​[x−F(x)]; its zeros are exactly the points of SSS.

Condition (1.2) requires, for every x∗∈Sx^* \in Sx∗∈S,

⟨F(x),x−x∗⟩≥0for all x∈C.(1.2)\langle F(x), x - x^*\rangle \ge 0 \qquad \text{for all } x \in C. \tag{1.2}⟨F(x),x−x∗⟩≥0for all x∈C.(1.2)

It holds when FFF is monotone or pseudomonotone, and in cases where FFF is neither.

Algorithm 2.1. Fix γ,σ∈(0,1)\gamma, \sigma \in (0,1)γ,σ∈(0,1) and x0∈Cx^0 \in Cx0∈C. Given xix^ixi: if r(xi)=0r(x^i) = 0r(xi)=0, stop. Otherwise let kik_iki​ be the smallest nonnegative integer kkk with

⟨F(xi−γkr(xi)),r(xi)⟩≥σ∥r(xi)∥2,(2.1)\langle F(x^i - \gamma^k r(x^i)), r(x^i)\rangle \ge \sigma\|r(x^i)\|^2, \tag{2.1}⟨F(xi−γkr(xi)),r(xi)⟩≥σ∥r(xi)∥2,(2.1)

set ηi=γki\eta_i = \gamma^{k_i}ηi​=γki​, zi=xi−ηir(xi)z^i = x^i - \eta_i r(x^i)zi=xi−ηi​r(xi), Hi={x∣⟨F(zi),x−zi⟩≤0}H_i = \{x \mid \langle F(z^i), x - z^i\rangle \le 0\}Hi​={x∣⟨F(zi),x−zi⟩≤0}, and

xi+1=PC∩Hi[xi].x^{i+1} = P_{C \cap H_i}[x^i].xi+1=PC∩Hi​​[xi].

The hyperplane ∂Hi\partial H_i∂Hi​ separates xix^ixi from SSS.

Formalization targets

Goal: Theorem 2.1

If CCC is closed and convex, FFF is continuous, S≠∅S \ne \emptysetS=∅ and (1.2) holds, then every sequence generated by Algorithm 2.1 converges to a single point of SSS:

∃ x^∈S:xi→x^(i→∞).\exists\, \hat x \in S:\quad x^i \to \hat x \quad (i \to \infty).∃x^∈S:xi→x^(i→∞).

The theorem fixes no rate and no constant; it asserts convergence of the whole sequence, not only of a subsequence.

Milestones (in attack order)

  • Lemma 2.1 (p. 768): for nonempty closed convex BBB, ⟨x−PB[x],z−PB[x]⟩≤0\langle x - P_B[x], z - P_B[x]\rangle \le 0⟨x−PB​[x],z−PB​[x]⟩≤0 for z∈Bz \in Bz∈B, and ∥PB[x]−PB[y]∥2≤∥x−y∥2−∥PB[x]−x+y−PB[y]∥2\|P_B[x]-P_B[y]\|^2 \le \|x-y\|^2 - \|P_B[x]-x+y-P_B[y]\|^2∥PB​[x]−PB​[y]∥2≤∥x−y∥2−∥PB​[x]−x+y−PB​[y]∥2.
  • Residual characterization (p. 767): x∈S  ⟺  r(x)=0x \in S \iff r(x) = 0x∈S⟺r(x)=0.
  • (2.5) (p. 769): ⟨F(x),r(x)⟩≥∥r(x)∥2\langle F(x), r(x)\rangle \ge \|r(x)\|^2⟨F(x),r(x)⟩≥∥r(x)∥2 for x∈Cx \in Cx∈C.
  • Linesearch well-definedness (p. 769): for x∈Cx \in Cx∈C with r(x)≠0r(x) \ne 0r(x)=0, some kkk satisfies (2.1).
  • Lemma 2.2 (p. 768): xi+1=PC∩Hi[xˉi]x^{i+1} = P_{C\cap H_i}[\bar x^i]xi+1=PC∩Hi​​[xˉi] with xˉi=PHi[xi]\bar x^i = P_{H_i}[x^i]xˉi=PHi​​[xi].
  • (2.6) (pp. 769–770): ∥xi+1−x∗∥2≤∥xi−x∗∥2−∥xi+1−xˉi∥2−(ηiσ/∥F(zi)∥)2∥r(xi)∥4\|x^{i+1}-x^*\|^2 \le \|x^i-x^*\|^2 - \|x^{i+1}-\bar x^i\|^2 - \big(\eta_i\sigma/\|F(z^i)\|\big)^2\|r(x^i)\|^4∥xi+1−x∗∥2≤∥xi−x∗∥2−∥xi+1−xˉi∥2−(ηi​σ/∥F(zi)∥)2∥r(xi)∥4 for every x∗∈Sx^* \in Sx∗∈S.
  • (2.8) (p. 770): ηi∥r(xi)∥→0\eta_i\|r(x^i)\| \to 0ηi​∥r(xi)∥→0.

Significance

Theorem 2.1 gives global convergence of a projection method for variational inequalities with no Lipschitz constant, no monotonicity and no knowledge of the problem beyond continuity and (1.2), at a fixed cost of two projections per iteration. Condition (1.2) covers pseudomonotone maps, which arise as gradients of pseudoconvex functions and in equilibrium models where monotonicity fails. The separating-hyperplane-and-project template of the proof is reused throughout the later literature on projection, proximal and hybrid methods for monotone inclusions.

The result has been proved since 1999. To the best of available knowledge no machine-checked proof of it, or of any convergence theorem for a projection method for variational inequalities, exists in Lean or Mathlib. This mission produces the statement and the supporting layer: a Euclidean projection onto closed convex sets with its standard inequalities, variational inequality solution sets, the projected residual, and a formal model of an Armijo-type linesearch algorithm with termination.

Difficulty

The Fejér-type inequality (2.6) quickly gives bounded iterates and ηi∥r(xi)∥→0\eta_i\|r(x^i)\| \to 0ηi​∥r(xi)∥→0. The obvious next step, concluding r(xi)→0r(x^i) \to 0r(xi)→0, fails: nothing prevents the stepsizes ηi\eta_iηi​ from tending to zero, and in that regime the product going to zero says nothing about the residual. This regime is where the minimality of kik_iki​ and the continuity of FFF enter, and it is the step a naive formalization (for instance one that drops minimality, or fixes the stepsize) cannot reach. A second subtlety is that (1.2) is needed at an accumulation point that is only known to lie in SSS at the end of the argument, which is why the condition must hold for every x∗∈Sx^* \in Sx∗∈S. Finally, subsequential convergence must be upgraded to convergence of the whole sequence to one solution; convergence of a subsequence, or of the distance to SSS, is strictly weaker.

Formalization scope

  • Rn\mathbb{R}^nRn is EuclideanSpace ℝ (Fin n) (not Fin n → ℝ, whose norm is the sup norm). The accumulation-point step needs finite dimension; no Hilbert-space generalization is intended.
  • Projection encoding. projOnto K x is a nearest point of KKK to xxx when one exists, chosen by Classical.choose, and the junk value xxx otherwise. On nonempty closed convex sets it is exactly PK[x]P_K[x]PK​[x]; the paper only projects onto such sets (CCC, HiH_iHi​, C∩HiC \cap H_iC∩Hi​), so the junk value is never reached under the hypotheses.
  • Stopping-rule encoding. A run is a sequence x : ℕ → ℝⁿ with Armijo indices k : ℕ → ℕ (predicate IsAlg21Run). If r(xi)=0r(x^i) = 0r(xi)=0 the method has stopped and the run stalls, xi+1=xix^{i+1} = x^ixi+1=xi; otherwise kik_iki​ is the least index satisfying (2.1) and xi+1=PC∩Hi[xi]x^{i+1} = P_{C \cap H_i}[x^i]xi+1=PC∩Hi​​[xi]. A stalled point is a solution, so finitely terminating runs are included in the goal.
  • Parameters γ,σ\gamma, \sigmaγ,σ are real with 0<γ<10 < \gamma < 10<γ<1, 0<σ<10 < \sigma < 10<σ<1, universally quantified; nnn, CCC, FFF and x0∈Cx^0 \in Cx0∈C are arbitrary.
  • (2.6) is stated for one generic step (x∈Cx \in Cx∈C, r(x)≠0r(x)\ne 0r(x)=0, kkk satisfying (2.1)) rather than along a run; it is the same inequality with xi,kix^i, k_ixi,ki​ abstracted.
  • Trivializing formalizations are ruled out: condition (1.2) is quantified over every solution and every x∈Cx \in Cx∈C (not replaced by monotonicity or an existential), kik_iki​ is the least index satisfying (2.1), the update projects xix^ixi onto C∩HiC \cap H_iC∩Hi​ (not onto CCC alone), the stopped case is pinned down by the stall encoding, and the conclusion is convergence of the whole sequence to one solution, not r(xi)→0r(x^i) \to 0r(xi)→0 or dist⁡(xi,S)→0\operatorname{dist}(x^i, S) \to 0dist(xi,S)→0.
  • Needed infrastructure: existence, uniqueness and variational characterization of the projection (Mathlib has exists_norm_eq_iInf_of_complete_convex and norm_eq_iInf_iff_real_inner_le_zero), firm nonexpansiveness, the explicit projection onto a halfspace, and a bounded-sequence subsequence argument in Rn\mathbb{R}^nRn. The projection lemmas are reusable for any projection-type method; contributions proving them as standalone lemmas are welcome.

Selected references

  • M. V. Solodov and B. F. Svaiter, A New Projection Method for Variational Inequality Problems, SIAM J. Control Optim. 37(3), 765–776, 1999. https://doi.org/10.1137/S0363012997317475
  • G. M. Korpelevich, The extragradient method for finding saddle points and other problems, Matecon 12, 747–756, 1976.
  • A. N. Iusem and B. F. Svaiter, A variant of Korpelevich's method for variational inequalities with a new search strategy, Optimization 42, 309–321, 1997. https://doi.org/10.1080/02331939708844365
  • P. T. Harker and J.-S. Pang, Finite-dimensional variational inequality and nonlinear complementarity problems: a survey of theory, algorithms and applications, Math. Programming 48, 161–220, 1990. https://doi.org/10.1007/BF01582255
  • F. Facchinei and J.-S. Pang, Finite-Dimensional Variational Inequalities and Complementarity Problems, Springer, 2003. https://doi.org/10.1007/b97543
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Linear algebraOperations ResearchOptimization·Captain: mikedeng1

Conjugate Gradient Methods with Inexact Searches: The Self-Scaled Direction Is a Multiple of Beale's Restart DirectionResearch Paper

Motivation

Conjugate gradient methods minimize a smooth function f:Rn→Rf:\mathbb R^n\to\mathbb Rf:Rn→R using only gradients and a handful of stored vectors. This makes them the standard choice when nnn is too large for Newton or quasi-Newton methods, which store an n×nn\times nn×n matrix. On a strictly convex quadratic with exact line searches the classical method of Hestenes and Stiefel terminates in at most nnn steps. On general functions, and with the inexact line searches used in practice, its behaviour is much less clear.

D. F. Shanno's 1978 paper in Mathematics of Operations Research (doi:10.1287/moor.3.3.244) links conjugate gradient methods to quasi-Newton methods. It writes the search direction as −H^g-\hat H g−H^g, where H^\hat HH^ is a positive definite approximation of the inverse Hessian that is never stored. The resulting "memoryless" BFGS directions give descent without exact line searches. The paper's new algorithm uses two BFGS updates: one from the last restart and one from the current step. Its first update is scaled by the Oren–Spedicato factor γt\gamma_tγt​. Shanno and Phua's CONMIN code implements the algorithm, and the memoryless BFGS direction is the one-pair case of the later limited-memory BFGS methods.

  • 1952: Hestenes and Stiefel, linear conjugate gradients.
  • 1964: Fletcher and Reeves, nonlinear conjugate gradients.
  • 1969: Polak and Ribière, a second nonlinear variant.
  • 1972: Beale, a restart procedure that keeps the computed direction dtd_tdt​.
  • 1977: Powell's restart criterion (Powell 1977).
  • 1978: Shanno's reformulation as memoryless and two-update quasi-Newton methods (this paper).

Setting

Vectors are columns in Rn\mathbb R^nRn. A prime denotes transpose: u′vu'vu′v is the inner product and uv′uv'uv′ the outer product. An iterative method produces points xkx_kxk​, steps pk=xk+1−xk=αkdkp_k = x_{k+1}-x_k = \alpha_k d_kpk​=xk+1​−xk​=αk​dk​ along search directions dkd_kdk​, gradients gk=∇f(xk)g_k = \nabla f(x_k)gk​=∇f(xk​), and gradient changes yk=gk+1−gky_k = g_{k+1}-g_kyk​=gk+1​−gk​. A line search is exact when pk′gk+1=0p_k'g_{k+1} = 0pk′​gk+1​=0.

The BFGS update of a matrix HHH with the pair (p,y)(p,y)(p,y) is

H+=H−p y′H+Hy p′p′y+(1+y′Hyp′y)pp′p′y.H^+ = H - \frac{p\,y'H + H y\,p'}{p'y} + \left(1+\frac{y'Hy}{p'y}\right)\frac{pp'}{p'y}.H+=H−p′ypy′H+Hyp′​+(1+p′yy′Hy​)p′ypp′​.

A restart cycle begins at iteration ttt. At a later iteration k>tk>tk>t, Shanno's self-scaled restart matrix is

H^k=γt(I−ptyt′+ytpt′pt′yt+yt′ytpt′ytptpt′pt′yt)+ptpt′pt′yt,γt=pt′ytyt′yt.\hat H_k = \gamma_t\left(I - \frac{p_ty_t'+y_tp_t'}{p_t'y_t} + \frac{y_t'y_t}{p_t'y_t}\frac{p_tp_t'}{p_t'y_t}\right) + \frac{p_tp_t'}{p_t'y_t}, \qquad \gamma_t = \frac{p_t'y_t}{y_t'y_t}.H^k​=γt​(I−pt′​yt​pt​yt′​+yt​pt′​​+pt′​yt​yt′​yt​​pt′​yt​pt​pt′​​)+pt′​yt​pt​pt′​​,γt​=yt′​yt​pt′​yt​​.

The matrix H^k+1\hat H_{k+1}H^k+1​ is its BFGS update with (pk,yk)(p_k,y_k)(pk​,yk​), and the self-scaled two-update direction is dk+1=−H^k+1gk+1d_{k+1} = -\hat H_{k+1}g_{k+1}dk+1​=−H^k+1​gk+1​. The unscaled variant uses the BFGS update of III in place of the first matrix.

Beale's direction is

dk+1=−gk+1+yk′gk+1dk′ykdk+yt′gk+1dt′ytdt.d_{k+1} = -g_{k+1} + \frac{y_k'g_{k+1}}{d_k'y_k}d_k + \frac{y_t'g_{k+1}}{d_t'y_t}d_t.dk+1​=−gk+1​+dk′​yk​yk′​gk+1​​dk​+dt′​yt​yt′​gk+1​​dt​.

The quadratic case has gradient g(x)=Ax+cg(x) = Ax + cg(x)=Ax+c with AAA symmetric positive definite.

Formalization targets

Goal: reduction of the self-scaled method to Beale's method

Let AAA be symmetric positive definite, gi=Axi+cg_i = Ax_i + cgi​=Axi​+c and t<kt<kt<k. Assume that for t≤i≤kt\le i\le kt≤i≤k we have xi+1=xi+pix_{i+1} = x_i + p_ixi+1​=xi​+pi​, pi=αidip_i = \alpha_i d_ipi​=αi​di​ and pi′gi+1=0p_i'g_{i+1}=0pi′​gi+1​=0, that pt′Api=0p_t'Ap_i = 0pt′​Api​=0 for t<i≤kt<i\le kt<i≤k, and that pt,pk≠0p_t, p_k \ne 0pt​,pk​=0. Then

−H^k+1gk+1=γt(−gk+1+yk′gk+1dk′ykdk+yt′gk+1dt′ytdt).-\hat H_{k+1}g_{k+1} = \gamma_t\left(-g_{k+1} + \frac{y_k'g_{k+1}}{d_k'y_k}d_k + \frac{y_t'g_{k+1}}{d_t'y_t}d_t\right).−H^k+1​gk+1​=γt​(−gk+1​+dk′​yk​yk′​gk+1​​dk​+dt′​yt​yt′​gk+1​​dt​).

This is the paper's claim that "for f(x)f(x)f(x) quadratic with exact searches each of the above methods reduces exactly to Beale's method defined by (28)", with the conclusion (44). The scale is exactly γt\gamma_tγt​.

Companion statements

  • The unscaled two-update direction equals Beale's direction exactly.
  • Both two-update directions are descent directions, gk+1′dk+1<0g_{k+1}'d_{k+1} < 0gk+1′​dk+1​<0, whenever pt′yt>0p_t'y_t > 0pt′​yt​>0 and pk′yk>0p_k'y_k > 0pk′​yk​>0. No exact search is needed.

Milestones on the path

  • (34): the expansion of −H^k+1gk+1-\hat H_{k+1}g_{k+1}−H^k+1​gk+1​.
  • (40): its form under an exact search.
  • (41): gradients along a run on a quadratic.
  • pt′gk+1=0p_t'g_{k+1} = 0pt′​gk+1​=0.
  • (38), corrected by a factor 2: the action of the self-scaled restart matrix.
  • (42): its form when pt′gk+1=0p_t'g_{k+1} = 0pt′​gk+1​=0.
  • (43): the direction after substitution.

Significance

The result. The reduction says that the new algorithm reproduces Beale's restarted conjugate gradient directions on a quadratic with exact line searches. So it keeps the finite-termination and rate-of-convergence properties behind Beale's restart. Away from that setting it behaves as a quasi-Newton method, whose directions are descent directions under any line search with p′y>0p'y>0p′y>0. The two regimes are what justify relaxing the line search, which the paper's computations exploit. The scale γt\gamma_tγt​ changes only the length of the step, not its direction.

Formalizing it. The claim is proved in the paper by a short computation, and no machine-checked version is known. This mission produces:

  • a checked statement of the claim with every hypothesis explicit, including the conjugacy the proof takes as known;
  • a corrected version of display (38), which is misprinted;
  • reusable definitions of the additive BFGS update and of Beale's direction.

Difficulty

The obvious attempt is to expand both BFGS updates symbolically and compare with Beale's formula. This fails without two facts that are not algebraic identities. The first is that the restart step stays orthogonal to every later gradient, pt′gk+1=0p_t'g_{k+1}=0pt′​gk+1​=0. It needs the affine gradient of a quadratic, the exact search at the restart step, and conjugacy of ptp_tpt​ with all later steps. The second is yk′pt=0y_k'p_t = 0yk′​pt​=0, which again comes from conjugacy. Beale's formula also has to be matched in its ddd-form: the coefficient y′gd′yd\frac{y'g}{d'y}dd′yy′g​d equals y′gp′yp\frac{y'g}{p'y}pp′yy′g​p only when the step length is nonzero. The descent statements need a different argument: the BFGS update of a positive definite matrix with p′y>0p'y>0p′y>0 must be shown to remain positive definite, and this has to be done twice.

Formalization scope

Vectors are Fin n → ℝ and matrices Matrix (Fin n) (Fin n) ℝ. The inner product u′vu'vu′v is u ⬝ᵥ v, the outer product uv′uv'uv′ is vecMulVec u v, and HvHvHv is H *ᵥ v. The quadratic enters only through its gradient A *ᵥ x + c with A.PosDef. The paper's (4) is the case c=−Ax^c = -A\hat xc=−Ax^. Iterates, steps, directions and gradients are sequences indexed by ℕ. Division is Lean's total division. Every statement that divides therefore carries hypotheses making its denominators nonzero: pt≠0p_t \ne 0pt​=0 and pk≠0p_k\ne0pk​=0 in the quadratic statements, and pt′yt≠0p_t'y_t\ne 0pt′​yt​=0 or p′y>0p'y>0p′y>0 in the generic ones.

The conjugacy pt′Api=0p_t'Ap_i=0pt′​Api​=0 for t<i≤kt<i\le kt<i≤k is a hypothesis, exactly as the paper's proof uses it. It is not derived from a full run of Beale's algorithm. The range k≤t+n−1k\le t+n-1k≤t+n−1 of Beale's formula is not assumed.

Several formalizations would make the claim easier than the paper's, and none of them is used:

  • defining the direction by the expanded formula (34), or the restart matrix by (38);
  • adding orthogonality or conjugacy hypotheses beyond those listed;
  • concluding only that the two directions are parallel;
  • dropping the restart term of Beale's direction;
  • allowing a zero denominator.

The generic milestones — (34), (40), (38), (42), (43) and the descent statements — are statements about arbitrary vectors and matrices and are reusable for any BFGS-based method. Proofs of any milestone, and alternative derivations of the goal, are welcome.

Selected references

  • D. F. Shanno, Conjugate Gradient Methods with Inexact Searches, Mathematics of Operations Research 3(3) (1978) 244–256. https://doi.org/10.1287/moor.3.3.244
  • E. M. L. Beale, A derivation of conjugate gradients, in F. A. Lootsma (ed.), Numerical Methods for Nonlinear Optimization, Academic Press, 1972, 39–43.
  • M. J. D. Powell, Restart procedures for the conjugate gradient method, Mathematical Programming 12 (1977) 241–254. https://doi.org/10.1007/BF01593790
  • M. R. Hestenes and E. Stiefel, Methods of conjugate gradients for solving linear systems, J. Res. Nat. Bur. Standards 49 (1952) 409–436. https://doi.org/10.6028/jres.049.044
  • S. S. Oren and E. Spedicato, Optimal conditioning of self-scaling variable metric algorithms, Mathematical Programming 10 (1976) 70–90. https://doi.org/10.1007/BF01580654
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Convex OptimizationOptimization·Captain: mikedeng1

The Relaxation Method for Linear Inequalities III: Reflexion in a Closed Bounded Convex Set Terminates or Ends in OscillationResearch Paper

Motivation

The relaxation method for a system of linear inequalities, introduced by Agmon and by Motzkin and Schoenberg in back-to-back papers of the Canadian Journal of Mathematics (1954), solves ∑jaijxj+bi≥0\sum_j a_{ij}x_j + b_i \ge 0∑j​aij​xj​+bi​≥0 by repeatedly moving a point towards, or across, the most violated half-space. It is the ancestor of the perceptron algorithm, of Kaczmarz-type projection methods, and of the method of alternating projections, all of which are still used in feasibility problems, tomography and machine learning.

Motzkin and Schoenberg's paper ends (Part IV, §§9–10) by asking whether the behaviour of the reflexion process — the relaxation step with factor λ=2\lambda = 2λ=2 — survives when the finite family of half-spaces is replaced by an infinite one. They answer this for one natural infinite family: all supporting half-spaces of a closed bounded convex set. This mission formalizes that answer, Theorem 3 of the paper.

Timeline of the thread this mission belongs to:

  • 1922 — Fejér observes that a sequence approaching every point of a set monotonically has useful convergence properties (Fejér, Math. Annalen 85, 1922).
  • 1954 — Agmon proves convergence of the relaxation method for 0<λ<20 < \lambda < 20<λ<2 (Agmon, Canad. J. Math. 6, 1954, pp. 382–392); Motzkin and Schoenberg prove finite termination of the reflexion method (λ=2\lambda = 2λ=2) for full-dimensional solution polytopes (Theorem 1), the oscillation behaviour in lower dimension (Theorem 2), and the convex-body version (Theorem 3) (Motzkin–Schoenberg 1954).

Setting

Let EnE_nEn​ be nnn-dimensional Euclidean space and let A⊆EnA \subseteq E_nA⊆En​ be a nonempty, closed, bounded, convex set. Its dimension rrr is the dimension of its affine span LrL_rLr​, the smallest flat containing AAA.

For p∉Ap \notin Ap∈/A let qqq be the point of AAA nearest to ppp; it exists and is unique. The image of ppp with respect to AAA is

p1=F(p)=p+2(q−p),(3.1)p_1 = F(p) = p + 2(q - p), \qquad (3.1)p1​=F(p)=p+2(q−p),(3.1)

the reflexion of ppp through qqq. The reflexion process starts at p0∉Ap_0 \notin Ap0​∈/A and sets pν+1=F(pν)p_{\nu+1} = F(p_\nu)pν+1​=F(pν​) as long as pν∉Ap_\nu \notin Apν​∈/A (3.2). Either the process terminates with some pN∈Ap_N \in ApN​∈A, or it produces an infinite sequence of points outside AAA.

The family FFF of supporting half-spaces of AAA consists of the closed half-spaces H⊇AH \supseteq AH⊇A whose bounding hyperplane touches AAA. The paper observes that the half-space H0H_0H0​ through qqq normal to pqpqpq is the member of FFF farthest from ppp, so (3.1) is exactly the reflexion step of the relaxation method applied to the infinite family FFF.

A sequence {qν}\{q_\nu\}{qν​} of points outside AAA is Fejér-monotone with respect to AAA if qν≠qν+1q_\nu \ne q_{\nu+1}qν​=qν+1​ and ∣qν+1−a∣≤∣qν−a∣|q_{\nu+1} - a| \le |q_\nu - a|∣qν+1​−a∣≤∣qν​−a∣ for all a∈Aa \in Aa∈A. Two points u,vu, vu,v are symmetric with respect to a flat LLL if their midpoint lies in LLL and u−vu - vu−v is orthogonal to LLL.

Formalization targets

Goal: Theorem 3 (p. 402)

For every nonempty closed bounded convex A⊆EnA \subseteq E_nA⊆En​ with affine span LrL_rLr​, every p0∉Ap_0 \notin Ap0​∈/A and every run {pν}\{p_\nu\}{pν​} of the reflexion process:

Case 1: r=n  ⟹  ∃N, pN∈A.\textbf{Case 1: } r = n \implies \exists N,\ p_N \in A.Case 1: r=n⟹∃N, pN​∈A. Case 2: r<n  ⟹  {p0∈Lr  ⟹  ∃N, pN∈A,p0∉Lr  ⟹  pν∉A ∀ν, and ∃ν0,u≠v symmetric w.r.t. Lr: {pν,pν+1}={u,v} ∀ν>ν0.\textbf{Case 2: } r < n \implies \begin{cases} p_0 \in L_r \implies \exists N,\ p_N \in A,\\[2pt] p_0 \notin L_r \implies p_\nu \notin A\ \forall \nu, \text{ and } \exists \nu_0, u \ne v \text{ symmetric w.r.t. } L_r:\ \{p_\nu, p_{\nu+1}\} = \{u, v\}\ \forall \nu > \nu_0. \end{cases}Case 2: r<n⟹{p0​∈Lr​⟹∃N, pN​∈A,p0​∈/Lr​⟹pν​∈/A ∀ν, and ∃ν0​,u=v symmetric w.r.t. Lr​: {pν​,pν+1​}={u,v} ∀ν>ν0​.​

No number of steps is fixed: termination is finite but not uniformly bounded.

Milestones (attack order)

  1. §9 — the half-space H0H_0H0​ belongs to FFF, maximizes dist⁡(p,H)\operatorname{dist}(p, H)dist(p,H) over FFF, and every farthest member of FFF yields the step (3.1).
  2. §10 — an infinite run of the reflexion process is Fejér-monotone with respect to AAA.
  3. Lemma 1, Case 1 — a sequence Fejér-monotone with respect to a set of dimension nnn converges to a point.
  4. §10 — the limit of an infinite run lies in AAA and on its boundary.
  5. Theorem 3, Case 1 — if r=nr = nr=n the process always terminates.
  6. §10 — orthogonal projection on a flat L⊇AL \supseteq AL⊇A commutes with the image map, and each step keeps the distance to LLL while switching sides.

Significance

The result. Theorem 3 shows that the dichotomy proved in the paper for finitely many half-spaces — finite termination when the target is full-dimensional, eventual oscillation otherwise — holds for the infinite family of all supporting half-spaces of a convex body. Case 1 says that reflecting through the nearest point, a method that uses no information about AAA beyond metric projection, reaches a full-dimensional convex body in finitely many steps from any start. Case 2 says that for a lower-dimensional body the process detects this: the iterates settle into a two-cycle whose midpoint is a point of AAA, so a solution can be read off.

Formalizing it. The theorem is proved in the paper (1954), with a short proof of Case 1 that relies on geometric intuition about normal cones near a boundary point. To our knowledge no machine-checked proof exists. A complete development produces a verified finite-termination theorem for a projection method on general convex bodies, together with reusable facts about Fejér-monotone sequences and metric projections that recur throughout the analysis of projection algorithms.

Difficulty

The obvious argument for Case 1 is: the run is Fejér-monotone, hence converges (Lemma 1), and its limit aaa lies on the boundary of AAA; then derive a contradiction. For a polytope (Theorem 1) the contradiction comes from finiteness: eventually every reflexion is in one of finitely many hyperplanes through aaa, which keeps the iterates on a sphere around aaa. For a convex body there are infinitely many supporting hyperplanes near aaa, and the iterates are reflected in a different one at every step; no finiteness argument is available. What replaces finiteness is an argument about how the supporting hyperplanes of AAA at boundary points near aaa are oriented, and the paper gives it only as an informal geometric sketch. Making this step rigorous is the main work of the mission.

Numerical experiments show that termination can take tens of thousands of steps near sharp corners of a polygon, so no bound on the number of steps in terms of the distance of p0p_0p0​ to AAA alone can be expected.

Formalization scope

  • Space. EnE_nEn​ is EuclideanSpace ℝ (Fin n). AAA is a Set with four explicit hypotheses: A.Nonempty, IsClosed A, Convex ℝ A, Bornology.IsBounded A. Nonemptiness is implicit in the paper ("of dimension rrr", "the point of AAA nearest to ppp").
  • The image as a relation. IsImage A p p₁ holds when p1=p+2(q−p)p_1 = p + 2(q - p)p1​=p+2(q−p) for a nearest point qqq of AAA; the nearest point is not chosen by a function. For closed convex nonempty AAA this relation is a function on EnE_nEn​. A run is any sequence with IsImage A (p ν) (p (ν+1)) whenever p ν ∉ A; values after entering AAA are unconstrained. Every statement quantifies over every run from every p0∉Ap_0 \notin Ap0​∈/A; a formalization that only asserts the existence of some terminating run is ruled out.
  • Dimension. LrL_rLr​ is affineSpan ℝ A; r=nr = nr=n is affineSpan ℝ A = ⊤, r<nr < nr<n is affineSpan ℝ A ≠ ⊤. No separate natural number rrr is introduced.
  • Symmetry. IsSymmetricWrt L u v: midpoint ℝ u v ∈ L and u - v orthogonal to L.direction. For r<n−1r < n - 1r<n−1 this is a point reflection through the foot of the perpendicular, not a reflection in a hyperplane. The goal also requires u≠vu \ne vu=v and strict alternation pν↔pν+1p_\nu \leftrightarrow p_{\nu+1}pν​↔pν+1​ for ν>ν0\nu > \nu_0ν>ν0​ (strict inequality, as printed).
  • Boundary is frontier A; distances to sets are Metric.infDist.
  • Generalizations recorded. Lemma 1, Case 1 is stated for an arbitrary set A⊆EnA \subseteq E_nA⊆En​ with full affine span (the paper states it for the polytope of (1.4) and applies it in §10 to a convex body). The projection milestone is stated for any flat L⊇AL \supseteq AL⊇A, not only after the paper's reduction to r=n−1r = n - 1r=n−1. The §9 milestone expresses "the reflexion process with respect to FFF amounts to (3.1)" as: every farthest member of FFF, with any nearest point on it, gives the same step.
  • Duplication. Case 1 appears both as a milestone and inside the goal, because the paper's proof of Case 2 cites Case 1. Solvers will need to transfer Case 1 from EnE_nEn​ to the flat LrL_rLr​ (an isometric copy of ErE_rEr​).
  • Infrastructure. Mathlib's metric projection onto complete convex sets (exists_norm_eq_iInf_of_complete_convex, norm_eq_iInf_iff_real_inner_le_zero) and EuclideanGeometry.orthogonalProjection cover the basic geometry. Normal cones of convex sets and their upper semicontinuity are not in Mathlib; a contribution there is reusable well beyond this mission. Proofs of any milestone, and alternative proofs of Case 1, are welcome.

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 (the companion paper in the same issue).
  • L. Fejér, Über die Lage der Nullstellen von Polynomen, die aus Minimumforderungen gewisser Art entspringen, Mathematische Annalen 85 (1922), 41–48.
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Globally Convergent Type-I Anderson Acceleration for Nonsmooth Fixed-Point Iterations: The Stabilized Type-I Anderson Acceleration Converges to a Fixed Point of Every Nonexpansive MapResearch Paper

Motivation

Many first-order methods in optimization are fixed-point iterations xk+1=f(xk)x^{k+1}=f(x^k)xk+1=f(xk) of a nonexpansive map f:Rn→Rnf:\mathbb R^n\to\mathbb R^nf:Rn→Rn: proximal gradient descent, projected gradient descent, alternating projections, ISTA and Douglas–Rachford splitting (with the conic solver SCS as an instance) all have this form (Zhang, O'Donoghue, Boyd 2020, §4.2). The averaged (Krasnosel'skiĭ–Mann) iteration xk+1=(1−α)xk+αf(xk)x^{k+1}=(1-\alpha)x^k+\alpha f(x^k)xk+1=(1−α)xk+αf(xk) converges to a fixed point whenever one exists, but it is often slow in its terminal phase. Anderson acceleration (AA) combines the last few iterates through a quasi-Newton update of an approximate Jacobian; it is used for electronic-structure computations and, in the stabilized form studied here, in the solver SCS 2.1. Its type-I variant (AA-I) is often faster in practice than the more studied type-II variant, but it can be numerically unstable, and no global convergence guarantee existed for it on nonsmooth problems.

Timeline (as recounted in the paper's related-work section):

  • 1965. Anderson introduces the method for nonlinear integral equations (J. ACM 12).
  • 1978. Gay and Schnabel prove local Q-superlinear convergence of a full-memory AA-I-type method (Broyden with projected updates), assuming fff continuously differentiable near the solution.
  • 2009. Fang and Saad connect AA with multisecant Broyden methods and distinguish the two types (Numer. Linear Algebra Appl. 16).
  • 2011. Walker and Ni show the essential equivalence of full-memory AA with GMRES for affine fff (SIAM J. Numer. Anal. 49); Rohwedder and Schneider prove local Q-linear convergence of limited-memory AA-II for differentiable fff.
  • 2015. Toth and Kelley give local linear convergence of AA-II for contractive fff (SIAM J. Numer. Anal. 53).
  • 2020. Zhang, O'Donoghue and Boyd introduce a stabilized AA-I method (Powell-type regularization, restart checking, safeguarding) and prove global convergence for every nonexpansive map with a fixed point, without differentiability (SIAM J. Optim. 30(4), 3170–3197; longer version arXiv:1808.03971).

Setting

Let f:Rn→Rnf:\mathbb R^n\to\mathbb R^nf:Rn→Rn satisfy ∥f(x)−f(y)∥2≤∥x−y∥2\|f(x)-f(y)\|_2\le\|x-y\|_2∥f(x)−f(y)∥2​≤∥x−y∥2​ for all x,yx,yx,y (the Euclidean norm), and assume the solution set X={x⋆∣x⋆=f(x⋆)}X=\{x^\star\mid x^\star=f(x^\star)\}X={x⋆∣x⋆=f(x⋆)} is nonempty. The residual is g(x)=x−f(x)g(x)=x-f(x)g(x)=x−f(x), gk=g(xk)g_k=g(x^k)gk​=g(xk), and the averaged operator is fα(x)=(1−α)x+αf(x)f_\alpha(x)=(1-\alpha)x+\alpha f(x)fα​(x)=(1−α)x+αf(x).

Powell's weight. For θˉ∈(0,1)\bar\theta\in(0,1)θˉ∈(0,1), ϕθˉ(η)=1\phi_{\bar\theta}(\eta)=1ϕθˉ​(η)=1 if ∣η∣≥θˉ|\eta|\ge\bar\theta∣η∣≥θˉ and ϕθˉ(η)=(1−sign⁡(η)θˉ)/(1−η)\phi_{\bar\theta}(\eta)=(1-\operatorname{sign}(\eta)\bar\theta)/(1-\eta)ϕθˉ​(η)=(1−sign(η)θˉ)/(1−η) otherwise, with sign⁡(0)=1\operatorname{sign}(0)=1sign(0)=1.

Window matrices. For vectors s0,…,smk−1s_0,\dots,s_{m_k-1}s0​,…,smk​−1​ and y0,…,ymk−1y_0,\dots,y_{m_k-1}y0​,…,ymk​−1​, let s^i\hat s_is^i​ be their unnormalized Gram–Schmidt orthogonalization (3.2), B0=IB^0=IB0=I, and

Bi+1=Bi+(y~i−Bisi)s^iTs^iTsi,y~i=θiyi+(1−θi)Bisi,θi=ϕθˉ(s^iT(Bi)−1yi∥s^i∥22).B^{i+1}=B^i+\frac{(\tilde y_i-B^is_i)\hat s_i^T}{\hat s_i^Ts_i},\qquad \tilde y_i=\theta^iy_i+(1-\theta^i)B^is_i,\qquad \theta^i=\phi_{\bar\theta}\Bigl(\frac{\hat s_i^T(B^i)^{-1}y_i}{\|\hat s_i\|_2^2}\Bigr).Bi+1=Bi+s^iT​si​(y~​i​−Bisi​)s^iT​​,y~​i​=θiyi​+(1−θi)Bisi​,θi=ϕθˉ​(∥s^i​∥22​s^iT​(Bi)−1yi​​).

The matrix norm ∥⋅∥2\|\cdot\|_2∥⋅∥2​ is the induced ℓ2\ell_2ℓ2​ operator norm.

Algorithm 3.1 (AA-I-S-m). With parameters θˉ,τ,α∈(0,1)\bar\theta,\tau,\alpha\in(0,1)θˉ,τ,α∈(0,1), D,ϵ>0D,\epsilon>0D,ϵ>0 and max-memory m≥1m\ge1m≥1: start from H0=IH_0=IH0​=I, m0=0m_0=0m0​=0, nAA=0n_{AA}=0nAA​=0, Uˉ=∥g0∥2\bar U=\|g_0\|_2Uˉ=∥g0​∥2​ and x1=x~1=fα(x0)x^1=\tilde x^1=f_\alpha(x^0)x1=x~1=fα​(x0). At iteration k≥1k\ge1k≥1, set sk−1=x~k−xk−1s_{k-1}=\tilde x^k-x^{k-1}sk−1​=x~k−xk−1 and yk−1=g(x~k)−g(xk−1)y_{k-1}=g(\tilde x^k)-g(x^{k-1})yk−1​=g(x~k)−g(xk−1), orthogonalize sk−1s_{k-1}sk−1​ against the current window, and restart the window (memory back to 111, Hk−1H_{k-1}Hk−1​ replaced by III) if the memory would exceed mmm or ∥s^k−1∥2<τ∥sk−1∥2\|\hat s_{k-1}\|_2<\tau\|s_{k-1}\|_2∥s^k−1​∥2​<τ∥sk−1​∥2​. Then apply one Powell-regularized rank-one update to obtain HkH_kHk​ and the trial point x~k+1=xk−Hkgk\tilde x^{k+1}=x^k-H_kg_kx~k+1=xk−Hk​gk​. The trial point is accepted if ∥gk∥2≤DUˉ(nAA+1)−(1+ϵ)\|g_k\|_2\le D\bar U(n_{AA}+1)^{-(1+\epsilon)}∥gk​∥2​≤DUˉ(nAA​+1)−(1+ϵ) (and nAAn_{AA}nAA​ increases); otherwise xk+1=fα(xk)x^{k+1}=f_\alpha(x^k)xk+1=fα​(xk).

Formalization targets

Goal: Theorem 4.1

for every run of Algorithm 3.1:lim⁡k→∞xk=x⋆for some x⋆=f(x⋆).\text{for every run of Algorithm 3.1:}\qquad \lim_{k\to\infty}x^k=x^\star\quad\text{for some } x^\star=f(x^\star).for every run of Algorithm 3.1:k→∞lim​xk=x⋆for some x⋆=f(x⋆).

The only hypotheses are nonexpansiveness of fff, X≠∅X\ne\emptysetX=∅ and the parameter ranges. The limit is not specified: it depends on x0x^0x0 and the parameters.

Milestones

  1. Lemma 3.2. Well-defined updates give ∣det⁡Bmk∣≥θˉmk>0|\det B^{m_k}|\ge\bar\theta^{m_k}>0∣detBmk​∣≥θˉmk​>0.
  2. Lemma 3.3. If ∥yi∥2≤2∥si∥2\|y_i\|_2\le2\|s_i\|_2∥yi​∥2​≤2∥si​∥2​, ∥s^i∥2≥τ∥si∥2\|\hat s_i\|_2\ge\tau\|s_i\|_2∥s^i​∥2​≥τ∥si​∥2​ and mk≤mm_k\le mmk​≤m, then ∥Bmk∥2≤3((1+θˉ+τ)/τ)m−2\|B^{m_k}\|_2\le3((1+\bar\theta+\tau)/\tau)^m-2∥Bmk​∥2​≤3((1+θˉ+τ)/τ)m−2.
  3. Corollary 3.4. ∥Hk∥2≤(3((1+θˉ+τ)/τ)m−2)n−1/θˉm\|H_k\|_2\le(3((1+\bar\theta+\tau)/\tau)^m-2)^{n-1}/\bar\theta^m∥Hk​∥2​≤(3((1+θˉ+τ)/τ)m−2)n−1/θˉm (3.8).
  4. Corollary 3.5. Along the algorithm, unless a solution is hit, (3.8) holds and cond(Hk)≤(3((1+θˉ+τ)/τ)m−2)n/θˉm\mathrm{cond}(H_k)\le(3((1+\bar\theta+\tau)/\tau)^m-2)^n/\bar\theta^mcond(Hk​)≤(3((1+θˉ+τ)/τ)m−2)n/θˉm.
  5. Eq. (4.3). ∥xk−y∥2≤∥x0−y∥2+CDUˉ∑i≥0(i+1)−(1+ϵ)\|x^k-y\|_2\le\|x^0-y\|_2+CD\bar U\sum_{i\ge0}(i+1)^{-(1+\epsilon)}∥xk−y∥2​≤∥x0−y∥2​+CDUˉ∑i≥0​(i+1)−(1+ϵ) for every y∈Xy\in Xy∈X.
  6. Eq. (4.6). lim⁡k∥gk∥2=0\lim_k\|g_k\|_2=0limk​∥gk​∥2​=0.
  7. Eq. (4.7). ∥xk+1−y∥22≤∥xk−y∥22+ϵk\|x^{k+1}-y\|_2^2\le\|x^k-y\|_2^2+\epsilon_k∥xk+1−y∥22​≤∥xk−y∥22​+ϵk​ with ϵk≥0\epsilon_k\ge0ϵk​≥0 summable.
  8. §4.1, Step 2. ∥xk−y∥2\|x^k-y\|_2∥xk−y∥2​ converges for every y∈Xy\in Xy∈X.

Significance

The theorem places a quasi-Newton acceleration scheme under the same hypotheses as the plain averaged iteration: nonexpansiveness and existence of a fixed point. It therefore applies at once to the nonexpansive examples of §4.2 of the paper (proximal gradient, projected gradient, alternating projections, ISTA, Douglas–Rachford splitting and SCS), with no smoothness, strong convexity or local assumption. The matrix bounds of Lemma 3.3 and Corollaries 3.4–3.5 are also of independent use: they give explicit, iteration-independent control of the approximate inverse Jacobians of a limited-memory type-I method, an assumption that other globalization frameworks (for example SuperMann) have to impose.

The result is proved in the paper; to our knowledge none of it is machine-checked. Mathlib has neither the Krasnosel'skiĭ–Mann iteration, nor Fejér monotonicity, nor any Anderson-type method. A formalization provides these pieces, checks the index bookkeeping of the restart and safeguard steps, and makes explicit the one place where the printed algorithm and the analysis disagree (line 9 at a window start; see below).

Difficulty

The accelerated step x~k+1=xk−Hkgk\tilde x^{k+1}=x^k-H_kg_kx~k+1=xk−Hk​gk​ need not decrease the distance to the solution set, so the Fejér argument for averaged iterations does not apply to it directly. The naive fix, bounding ∥Hkgk∥2\|H_kg_k\|_2∥Hk​gk​∥2​, requires a bound on ∥Hk∥2\|H_k\|_2∥Hk​∥2​ that holds uniformly along the run; without the Powell regularization BkB_kBk​ can be singular, and without the restart rule ∥Bk∥2\|B_k\|_2∥Bk​∥2​ can grow without bound as the window becomes nearly linearly dependent. The determinant and norm bounds of Lemmas 3.2–3.3 have to be established for arbitrary windows and then connected to the run of the algorithm, where the window, its orthogonalization and the matrices are defined by an intertwined recursion with resets. The safeguard then turns the uniform bound into a summable perturbation of a Fejér-monotone sequence, and the final step needs an Opial-type argument to pass from convergence of distances to convergence of the iterates.

Formalization scope

Rn\mathbb R^nRn is EuclideanSpace ℝ (Fin n), so all vector norms are Euclidean; matrices are continuous linear maps with the operator norm; us^Tu\hat s^Tus^T is rankOne ℝ u ŝ; det⁡\detdet is LinearMap.det; inverses are Ring.inverse (zero on singular maps, excluded by Lemma 3.2). The orthogonalization (3.2) is InnerProductSpace.gramSchmidt. Nonexpansive is LipschitzWith 1 f. The algorithm is the predicate IsAAISRun, a deterministic recursion: every run is determined by fff, the parameters and x0x^0x0, and a sorry-free check that runs exist (for f=idf=\mathrm{id}f=id) was built locally. The reset of Hk−1H_{k-1}Hk−1​ in line 8 is local to its iteration. sign(0)=1\mathrm{sign}(0)=1sign(0)=1 is encoded explicitly. Constants are the paper's explicit expressions; no milestone replaces them with an existential constant.

Line 9. The paper prints y~k−1=θk−1yk−1−(1−θk−1)gk−1\tilde y_{k-1}=\theta_{k-1}y_{k-1}-(1-\theta_{k-1})g_{k-1}y~​k−1​=θk−1​yk−1​−(1−θk−1​)gk−1​, derived from (3.3) through Bk−1sk−1=−gk−1B_{k-1}s_{k-1}=-g_{k-1}Bk−1​sk−1​=−gk−1​, which fails when the window starts afresh (mk=1m_k=1mk​=1). The mission uses (3.3) there: y~k−1=θk−1yk−1+(1−θk−1)sk−1\tilde y_{k-1}=\theta_{k-1}y_{k-1}+(1-\theta_{k-1})s_{k-1}y~​k−1​=θk−1​yk−1​+(1−θk−1​)sk−1​ when mk=1m_k=1mk​=1, and the printed formula when mk≥2m_k\ge2mk​≥2.

Milestones of §4.1 and Corollary 3.5 carry the hypothesis f(xk)≠xkf(x^k)\ne x^kf(xk)=xk for all kkk, as the paper does ("we temporarily assume for simplicity that a solution to (1.1) is not found in finite steps"); the goal does not. A goal proved from an unsatisfiable run predicate, or one that assumes a bound on ∥Hk∥2\|H_k\|_2∥Hk​∥2​, contractivity of fff, or that the accelerated step is never taken, is not this theorem. Division by zero in Lean can only occur once a fixed point has been reached, after which all later iterates coincide.

Useful reusable infrastructure includes the Krasnosel'skiĭ–Mann inequality ∥fα(x)−y∥22≤∥x−y∥22−α(1−α)∥g(x)∥22\|f_\alpha(x)-y\|_2^2\le\|x-y\|_2^2-\alpha(1-\alpha)\|g(x)\|_2^2∥fα​(x)−y∥22​≤∥x−y∥22​−α(1−α)∥g(x)∥22​, quasi-Fejér monotone sequences and their convergence, and determinant and norm identities for rank-one updates (the matrix determinant lemma and Sherman–Morrison). Proofs of the window lemmas, of the run invariants (the window matrices coincide with the algorithm's Hk−1H_k^{-1}Hk−1​) and of the convergence steps are all welcome.

Selected references

  • J. Zhang, B. O'Donoghue, S. Boyd, Globally Convergent Type-I Anderson Acceleration for Nonsmooth Fixed-Point Iterations, SIAM J. Optim. 30(4), 3170–3197, 2020. https://doi.org/10.1137/18M1232772
  • J. Zhang, B. O'Donoghue, S. Boyd, longer version, 2018. https://arxiv.org/abs/1808.03971
  • D. M. Gay, R. B. Schnabel, Solving systems of nonlinear equations by Broyden's method with projected updates, in Nonlinear Programming 3, Academic Press, 245–281, 1978 (reference [20] of the paper). https://doi.org/10.1137/18M1232772
  • D. G. Anderson, Iterative procedures for nonlinear integral equations, J. ACM 12(4), 547–560, 1965. https://doi.org/10.1145/321296.321305
  • H. Fang, Y. Saad, Two classes of multisecant methods for nonlinear acceleration, Numer. Linear Algebra Appl. 16(3), 197–221, 2009. https://doi.org/10.1002/nla.617
  • H. F. Walker, P. Ni, Anderson acceleration for fixed-point iterations, SIAM J. Numer. Anal. 49(4), 1715–1735, 2011. https://doi.org/10.1137/10078356X
  • A. Toth, C. T. Kelley, Convergence analysis for Anderson acceleration, SIAM J. Numer. Anal. 53(2), 805–819, 2015. https://doi.org/10.1137/130919398
  • H. H. Bauschke, P. L. Combettes, Convex Analysis and Monotone Operator Theory in Hilbert Spaces, Springer, 2011. https://doi.org/10.1007/978-1-4419-9467-7
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Golden Ratio Algorithms for Variational Inequalities II: The Explicit Golden Ratio Algorithm Converges for Locally Lipschitz Monotone OperatorsResearch Paper

Motivation

Monotone variational inequalities cover convex minimisation, convex–concave saddle-point problems, Nash equilibria of monotone games and complementarity problems, and they are the standard model for these in optimization and operations research. First-order methods for them (extragradient, forward–backward–forward, reflected and projected gradient methods) need a stepsize below 1/L1/L1/L, where LLL is a global Lipschitz constant of the operator. That constant is often unknown, too pessimistic, or nonexistent: in composite minimisation with a locally smooth term, or in saddle-point problems with bilinear-plus-nonlinear couplings, the operator is only locally Lipschitz. The usual remedy is a linesearch, which costs extra operator or prox evaluations per iteration and complicates the complexity accounting.

Y. Malitsky, Golden Ratio Algorithms for Variational Inequalities (preprint 2018, Optimization Online 6598; published in Mathematical Programming, 2020, doi:10.1007/s10107-019-01416-w) proposes the Explicit Golden Ratio Algorithm (EGRAAL): its stepsizes are computed in closed form from the last two iterates, it uses one evaluation of FFF and one proximal step per iteration, and it needs neither a Lipschitz constant nor a linesearch. This mission formalizes its main convergence theorem, Theorem 2 of the preprint.

Setting

Let E\mathcal EE be a finite-dimensional real inner product space with norm ∥⋅∥=⟨⋅,⋅⟩\|\cdot\|=\sqrt{\langle\cdot,\cdot\rangle}∥⋅∥=⟨⋅,⋅⟩​. Let g:E→(−∞,+∞]g:\mathcal E\to(-\infty,+\infty]g:E→(−∞,+∞] with domain dom⁡g={x:g(x)<+∞}\operatorname{dom} g=\{x: g(x)<+\infty\}domg={x:g(x)<+∞}, and F:dom⁡g→EF:\operatorname{dom} g\to\mathcal EF:domg→E. The variational inequality (1) asks for

z∗∈Ewith⟨F(z∗),z−z∗⟩+g(z)−g(z∗)≥0∀z∈E.(1)z^*\in\mathcal E\quad\text{with}\quad \langle F(z^*),z-z^*\rangle+g(z)-g(z^*)\ge0\quad\forall z\in\mathcal E. \tag{1}z∗∈Ewith⟨F(z∗),z−z∗⟩+g(z)−g(z∗)≥0∀z∈E.(1)

Its solution set is SSS. The standing assumptions are: (C1) S≠∅S\ne\emptysetS=∅; (C2) ggg is proper, convex and lower semicontinuous; (C3) FFF is monotone on dom⁡g\operatorname{dom} gdomg, ⟨F(u)−F(v),u−v⟩≥0\langle F(u)-F(v),u-v\rangle\ge0⟨F(u)−F(v),u−v⟩≥0 for u,v∈dom⁡gu,v\in\operatorname{dom}gu,v∈domg.

The proximal operator is prox⁡g(w)=argmin⁡x{g(x)+12∥x−w∥2}\operatorname{prox}_g(w)=\operatorname{argmin}_x\{g(x)+\tfrac12\|x-w\|^2\}proxg​(w)=argminx​{g(x)+21​∥x−w∥2}. Write φ=5+12\varphi=\frac{\sqrt5+1}{2}φ=25​+1​ for the golden ratio. Algorithm 1 (EGRAAL) takes z0,z1∈Ez^0,z^1\in\mathcal Ez0,z1∈E, λ0>0\lambda_0>0λ0​>0, a parameter ϕ∈(1,φ]\phi\in(1,\varphi]ϕ∈(1,φ] and a cap λˉ>0\bar\lambda>0λˉ>0, sets zˉ0=z1\bar z^0=z^1zˉ0=z1, θ0=1\theta_0=1θ0​=1, ρ=1ϕ+1ϕ2\rho=\frac1\phi+\frac1{\phi^2}ρ=ϕ1​+ϕ21​, and for k≥1k\ge1k≥1 computes

λk=min⁡{ρλk−1, ϕθk−14λk−1∥zk−zk−1∥2∥F(zk)−F(zk−1)∥2, λˉ},zˉk=(ϕ−1)zk+zˉk−1ϕ,\lambda_k=\min\Big\{\rho\lambda_{k-1},\ \frac{\phi\theta_{k-1}}{4\lambda_{k-1}}\frac{\|z^k-z^{k-1}\|^2}{\|F(z^k)-F(z^{k-1})\|^2},\ \bar\lambda\Big\},\qquad \bar z^k=\frac{(\phi-1)z^k+\bar z^{k-1}}{\phi},λk​=min{ρλk−1​, 4λk−1​ϕθk−1​​∥F(zk)−F(zk−1)∥2∥zk−zk−1∥2​, λˉ},zˉk=ϕ(ϕ−1)zk+zˉk−1​, zk+1=prox⁡λkg(zˉk−λkF(zk)),θk=λkλk−1ϕ,z^{k+1}=\operatorname{prox}_{\lambda_k g}\big(\bar z^k-\lambda_kF(z^k)\big),\qquad \theta_k=\frac{\lambda_k}{\lambda_{k-1}}\phi,zk+1=proxλk​g​(zˉk−λk​F(zk)),θk​=λk−1​λk​​ϕ,

with the convention 0/0=+∞0/0=+\infty0/0=+∞ in the middle term. The paper uses the bifunction Ψ(u,v)=⟨F(u),v−u⟩+g(v)−g(u)\Psi(u,v)=\langle F(u),v-u\rangle+g(v)-g(u)Ψ(u,v)=⟨F(u),v−u⟩+g(v)−g(u).

Formalization targets

Goal: Theorem 2

If FFF is locally Lipschitz continuous and (C1)–(C3) hold, then for every run of Algorithm 1 there is z∗∈Sz^*\in Sz∗∈S with

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

Nothing is fixed beyond the paper's parameter ranges: ϕ∈(1,φ]\phi\in(1,\varphi]ϕ∈(1,φ], λˉ>0\bar\lambda>0λˉ>0, λ0>0\lambda_0>0λ0​>0 and the starting points are arbitrary. The two sequences share one limit.

Milestones

  1. Eq. (4), the prox-inequality: xˉ=prox⁡gw  ⟺  ⟨xˉ−w,x−xˉ⟩≥g(xˉ)−g(x)\bar x=\operatorname{prox}_g w\iff\langle\bar x-w,x-\bar x\rangle\ge g(\bar x)-g(x)xˉ=proxg​w⟺⟨xˉ−w,x−xˉ⟩≥g(xˉ)−g(x) for all xxx.
  2. Eq. (18), the estimates the step rule gives: λk≤ρλk−1\lambda_k\le\rho\lambda_{k-1}λk​≤ρλk−1​, θk≤1+1ϕ\theta_k\le1+\frac1\phiθk​≤1+ϕ1​, and λk2∥F(zk)−F(zk−1)∥2≤θkθk−14∥zk−zk−1∥2\lambda_k^2\|F(z^k)-F(z^{k-1})\|^2\le\frac{\theta_k\theta_{k-1}}4\|z^k-z^{k-1}\|^2λk2​∥F(zk)−F(zk−1)∥2≤4θk​θk−1​​∥zk−zk−1∥2.
  3. Eq. (24), an identity that follows from the averaging step: ∥zk+1−z∥2=ϕϕ−1∥zˉk+1−z∥2−1ϕ−1∥zˉk−z∥2+1ϕ∥zk+1−zˉk∥2\|z^{k+1}-z\|^2=\frac\phi{\phi-1}\|\bar z^{k+1}-z\|^2-\frac1{\phi-1}\|\bar z^k-z\|^2+\frac1\phi\|z^{k+1}-\bar z^k\|^2∥zk+1−z∥2=ϕ−1ϕ​∥zˉk+1−z∥2−ϕ−11​∥zˉk−z∥2+ϕ1​∥zk+1−zˉk∥2.
  4. Eq. (27), the energy inequality, for z∈dom⁡gz\in\operatorname{dom}gz∈domg and k≥2k\ge2k≥2.
  5. Lemma 2: along bounded runs, (λk)(\lambda_k)(λk​) and (θk)(\theta_k)(θk​) are bounded and bounded away from 000.
  6. Lemma 1 (Bauschke–Combettes, Theorem 5.5): a Fejér monotone sequence whose cluster points lie in a nonempty set CCC converges to a point of CCC.

Significance

The result. Theorem 2 shows that a monotone variational inequality with a locally Lipschitz operator can be solved by a method whose stepsizes adapt to the local curvature of FFF at no extra cost: one FFF evaluation and one prox step per iteration, and no global constant and no backtracking. Because FFF is only ever evaluated at the prox outputs zk∈dom⁡gz^k\in\operatorname{dom}gzk∈domg, the method also applies when FFF is undefined or badly behaved outside the feasible set, where reflected-gradient methods can fail. The same analysis gives an ergodic O(1/k)O(1/k)O(1/k) rate and, under an error bound, an RRR-linear rate (§2.2 of the preprint; not part of this mission). The paper also derives fixed-point algorithms for demi-contractive operators from it.

Formalizing it. The theorem has a published proof; to our knowledge no machine-checked version exists, and Mathlib has no proximal operator, no theory of monotone variational inequalities and no Fejér-monotonicity lemma. This mission produces a formal convergence proof for an adaptive first-order method with a nonsmooth convex term, together with reusable pieces: the prox-inequality for extended-real-valued convex functions, a finite-dimensional Fejér convergence lemma, and a formal model of an adaptive-step algorithm with the 0/0=+∞0/0=+\infty0/0=+∞ rule.

Difficulty

The usual convergence argument for projected or extragradient methods bounds the cross term ⟨F(zk)−F(zk−1),zk−zk+1⟩\langle F(z^k)-F(z^{k-1}),z^k-z^{k+1}\rangle⟨F(zk)−F(zk−1),zk−zk+1⟩ using a global Lipschitz constant and a fixed stepsize. Here neither exists. The stepsize at iteration kkk depends on the iterates, and the energy that decreases changes from step to step, since it involves θk−1\theta_{k-1}θk−1​. Local Lipschitz continuity gives a usable constant only once the iterates are known to be bounded, and boundedness has to come from the energy inequality. Stepsizes that tend to 000 would also break the argument (Lemma 2 excludes this for bounded runs). The last step, identifying cluster points as solutions, needs lower semicontinuity of ggg and a limit in the prox-inequality along a subsequence with convergent stepsizes.

Formalization scope

E\mathcal EE is a real InnerProductSpace with FiniteDimensional ℝ E. ggg is a map E → EReal; (C2) is a structure: ggg never takes the value ⊥\bot⊥, is finite somewhere, has a convex epigraph in E×RE\times\mathbb RE×R, and is LowerSemicontinuous on EEE. FFF is a total map E → E, and every hypothesis on it (monotonicity, Lipschitz bounds) is restricted to dom⁡g\operatorname{dom}gdomg. The variational inequality is stored as g(z∗)≤⟨F(z∗),z−z∗⟩+g(z)g(z^*)\le\langle F(z^*),z-z^*\rangle+g(z)g(z∗)≤⟨F(z∗),z−z∗⟩+g(z), with z∗∈dom⁡gz^*\in\operatorname{dom}gz∗∈domg, which avoids extended-real subtraction. prox⁡λg\operatorname{prox}_{\lambda g}proxλg​ is an argmin predicate, so it never produces a junk value. The algorithm is a predicate on the four sequences, written for index k+1k+1k+1. The rule 0/0=+∞0/0=+\infty0/0=+∞ is a case split: if F(zk)=F(zk−1)F(z^k)=F(z^{k-1})F(zk)=F(zk−1) the step is min⁡{ρλk−1,λˉ}\min\{\rho\lambda_{k-1},\bar\lambda\}min{ρλk−1​,λˉ}. No condition such as F(z1)≠F(z0)F(z^1)\ne F(z^0)F(z1)=F(z0) or λ0≤λˉ\lambda_0\le\bar\lambdaλ0​≤λˉ is imposed.

"Locally Lipschitz" is formalized as Lipschitz on every bounded subset of dom⁡g\operatorname{dom}gdomg. This is the property the proof of Lemma 2 uses. It agrees with local Lipschitz continuity when dom⁡g\operatorname{dom}gdomg is closed (for example g=δCg=\delta_Cg=δC​ for a closed convex CCC, or ggg finite everywhere) and is stronger otherwise. Eq. (27) is stated for z∈dom⁡gz\in\operatorname{dom}gz∈domg, where F(z)F(z)F(z) and Ψ(z,zk)\Psi(z,z^k)Ψ(z,zk) are defined. Lemma 1 carries the hypothesis C≠∅C\ne\emptysetC=∅ of its cited source, without which it is false.

The statements are not vacuous: g≡0g\equiv0g≡0, F≡0F\equiv0F≡0 satisfy (C1)–(C3) and the Lipschitz hypothesis, and admit a run of Algorithm 1 with λk=min⁡{ρλk−1,λˉ}\lambda_k=\min\{\rho\lambda_{k-1},\bar\lambda\}λk​=min{ρλk−1​,λˉ}. A proof of Theorem 2 must hold for every run with the paper's parameters, not only for such degenerate data.

Contributions welcome: the prox-inequality and the existence of the prox for proper convex lsc ggg (both reusable beyond this mission), the Fejér lemma, the algebraic estimates (18) and (24), and the energy inequality (27). Once these are in place, Lemma 2 and the cluster-point argument complete Theorem 2.

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 184 (2020), 383–410. 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 (Theorem 5.5). https://doi.org/10.1007/978-1-4419-9467-7
  • G. M. Korpelevich, The extragradient method for finding saddle points and other problems, Ekonomika i Matematicheskie Metody 12 (1976), 747–756.
  • Y. Malitsky, Projected reflected gradient methods for monotone variational inequalities, SIAM Journal on Optimization 25 (2015), 502–520. https://doi.org/10.1137/14097238X
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The Generalized Quasi-Variational Inequality Problem III: The Projection Map Is a Contraction and Its Iterates Converge to a SolutionResearch Paper

Motivation

A variational inequality asks for a point xxx of a set K⊆RnK\subseteq\mathbb R^nK⊆Rn at which a vector field fff points "into" KKK: (x′−x)Tf(x)≥0(x'-x)^T f(x)\ge 0(x′−x)Tf(x)≥0 for every x′∈Kx'\in Kx′∈K. It is the common form of the first-order optimality conditions of constrained optimization, of complementarity problems, and of equilibrium models in economics and traffic networks. In many of these models the feasible set itself depends on the decision: the admissible actions of one agent are restricted by the current state, as in the impulse-control problems of Bensoussan and Lions that motivated quasi-variational inequalities, where K=K(x)K=K(x)K=K(x).

D. Chan and J. S. Pang, The generalized quasi-variational inequality problem (Math. Oper. Res. 7 (1982) 211–222), unify the quasi-variational inequality with the generalized (set-valued) variational inequality of Fang and Peterson (JOTA 1982). Their §§3–4 prove existence by fixed-point theorems for set-valued maps; §5 takes a different route and characterizes solutions as fixed points of a composite projection map. Theorem 5.3, the subject of this mission, gives conditions under which that map is a contraction, so that its fixed point exists, is unique, solves the problem, and is computed by plain fixed-point iteration from any starting point. It is the algorithmic result of the paper, and an early instance of the projection methods for strongly monotone quasi-variational inequalities studied since (e.g. Nesterov and Scrimali 2011).

Setting

Throughout, Rn\mathbb R^nRn carries the Euclidean inner product xTyx^T yxTy and norm ∥x∥\|x\|∥x∥.

Given point-to-set mappings KKK and fff of Rn\mathbb R^nRn into itself, the generalized quasi-variational inequality problem GQVI(K,f)\mathrm{GQVI}(K,f)GQVI(K,f) is to find vectors xxx and yyy with

x∈K(x),y∈f(x),(x′−x)Ty≥0for all x′∈K(x).x\in K(x),\qquad y\in f(x),\qquad (x'-x)^T y\ge 0\quad\text{for all }x'\in K(x).x∈K(x),y∈f(x),(x′−x)Ty≥0for all x′∈K(x).

When fff is point-to-point, f(x)f(x)f(x) is read as the singleton {f(x)}\{f(x)\}{f(x)}.

For a set SSS and a point zzz, the projection PS(z)P_S(z)PS​(z) is the point of SSS nearest to zzz, PS(z)=sol⁡min⁡x∈S∥x−z∥P_S(z)=\operatorname{sol}\min_{x\in S}\|x-z\|PS​(z)=solminx∈S​∥x−z∥; it exists and is unique when SSS is nonempty, closed and convex.

Theorem 5.3 concerns the special structure in which the feasible set moves by translation: fix a nonempty closed convex set K~\tilde KK~ and a point-to-point mapping mmm, and put

K(x)=m(x)+K~={m(x)+k:k∈K~}.K(x)=m(x)+\tilde K=\{m(x)+k : k\in\tilde K\}.K(x)=m(x)+K~={m(x)+k:k∈K~}.

For a step length λ>0\lambda>0λ>0 and a point-to-point fff, the projection map is

Fλ(x)=PK(x)(x−λf(x)).F_\lambda(x)=P_{K(x)}\bigl(x-\lambda f(x)\bigr).Fλ​(x)=PK(x)​(x−λf(x)).

The mappings mmm and fff are assumed Lipschitz continuous with constants α\alphaα, β\betaβ (∥m(x)−m(y)∥≤α∥x−y∥\|m(x)-m(y)\|\le\alpha\|x-y\|∥m(x)−m(y)∥≤α∥x−y∥, ∥f(x)−f(y)∥≤β∥x−y∥\|f(x)-f(y)\|\le\beta\|x-y\|∥f(x)−f(y)∥≤β∥x−y∥) and strongly monotone with constants γ\gammaγ, δ\deltaδ ((x−y)T(m(x)−m(y))≥γ∥x−y∥2(x-y)^T(m(x)-m(y))\ge\gamma\|x-y\|^2(x−y)T(m(x)−m(y))≥γ∥x−y∥2, (x−y)T(f(x)−f(y))≥δ∥x−y∥2(x-y)^T(f(x)-f(y))\ge\delta\|x-y\|^2(x−y)T(f(x)−f(y))≥δ∥x−y∥2).

Formalization targets

Goal: Theorem 5.3 (p. 221)

For each λ>0\lambda>0λ>0 with

λ2β2+2λ(αβ−δ)−2(γ−α)<0,\lambda^2\beta^2+2\lambda(\alpha\beta-\delta)-2(\gamma-\alpha)<0,λ2β2+2λ(αβ−δ)−2(γ−α)<0,

the map FλF_\lambdaFλ​ is a contraction (Lipschitz with a constant c<1c<1c<1 independent of the points), it has a fixed point x~λ\tilde x_\lambdax~λ​, the point x~λ\tilde x_\lambdax~λ​ solves GQVI(K,f)\mathrm{GQVI}(K,f)GQVI(K,f), and the iterates xk+1=Fλ(xk)x^{k+1}=F_\lambda(x^k)xk+1=Fλ​(xk) converge to x~λ\tilde x_\lambdax~λ​ from every initial vector x0∈Rnx^0\in\mathbb R^nx0∈Rn. All four conclusions are stated together.

Milestones

  1. Projection onto a translate (§5, proof of Theorem 5.3, first display, p. 221): PK(x)(y)=m(x)+PK~(y−m(x))P_{K(x)}(y)=m(x)+P_{\tilde K}(y-m(x))PK(x)​(y)=m(x)+PK~​(y−m(x)) for all x,yx,yx,y.
  2. Lipschitz estimate (§5, proof of Theorem 5.3, last display, p. 221): for every λ>0\lambda>0λ>0,
∥Fλ(y1)−Fλ(y2)∥≤[α+(λ2β2+2λ(αβ−δ)+(1+α2−2γ))1/2]∥y1−y2∥.\|F_\lambda(y^1)-F_\lambda(y^2)\|\le\Bigl[\alpha+\bigl(\lambda^2\beta^2+2\lambda(\alpha\beta-\delta)+(1+\alpha^2-2\gamma)\bigr)^{1/2}\Bigr]\|y^1-y^2\|.∥Fλ​(y1)−Fλ​(y2)∥≤[α+(λ2β2+2λ(αβ−δ)+(1+α2−2γ))1/2]∥y1−y2∥.
  1. Theorem 5.1 (p. 220): if every K(x)K(x)K(x) is closed and convex, (x∗,y∗)(x^*,y^*)(x∗,y∗) solves GQVI(K,f)\mathrm{GQVI}(K,f)GQVI(K,f) if and only if x∗=PK(x∗)(x∗−y∗)x^*=P_{K(x^*)}(x^*-y^*)x∗=PK(x∗)​(x∗−y∗) and y∗∈f(x∗)y^*\in f(x^*)y∗∈f(x∗).

Significance

The result. Theorem 5.3 turns an existence question into a computation: under Lipschitz and strong monotonicity assumptions, a quasi-variational inequality with translated feasible sets has exactly one solution reachable by projection iterations, each of which is a projection on the fixed set K~\tilde KK~ (a convex quadratic program when K~\tilde KK~ is polyhedral). The step-size window it gives is explicit in α,β,γ,δ\alpha,\beta,\gamma,\deltaα,β,γ,δ, so it certifies a convergent method before any iteration is run. The closing remark of the paper (p. 222) reads each step as solving the GQVI under a zero-th order approximation of KKK, the viewpoint behind later splitting methods.

Formalizing it. The result is proved in the paper; the proof is short, but its constants and the equivalence of the two contraction conditions are easy to get wrong. A machine-checked version fixes the exact hypotheses (no sign conditions on the constants, Euclidean geometry), and produces reusable pieces: the translation identity for projections, nonexpansiveness of the Euclidean projection on a closed convex set, and the projection characterization of quasi-variational inequalities (Theorem 5.1).

Difficulty

Banach's fixed-point theorem does the last step; the work is the estimate. The naive bound, projection nonexpansiveness applied directly to FλF_\lambdaFλ​, fails because the sets K(y1)K(y^1)K(y1) and K(y2)K(y^2)K(y2) differ: two projections on different sets are not controlled by the distance of the projected points alone. The translation identity separates the moving part m(y1)−m(y2)m(y^1)-m(y^2)m(y1)−m(y2) from a projection on the one set K~\tilde KK~, at the cost of the additive term α\alphaα in the constant. The remaining square must be expanded with the inner-product cross terms bounded by the monotonicity constants in the right directions, including the cross term between fff and mmm. Finally, the condition "bracket <1<1<1" is equivalent to the stated λ\lambdaλ-condition only when α<1\alpha<1α<1, which must be derived from the hypotheses rather than assumed.

Formalization scope

  • The space is EuclideanSpace ℝ (Fin n), with Mathlib's Euclidean norm and inner product; Fin n → ℝ (sup norm) would change every constant. No assumption n≥1n\ge1n≥1 is made; at n=0n=0n=0 all statements hold trivially.
  • The constants α,β,γ,δ\alpha,\beta,\gamma,\deltaα,β,γ,δ are real numbers with no sign conditions, as in the paper; the Lipschitz and monotonicity hypotheses are the displayed inequalities for all x,yx,yx,y. For n≥1n\ge1n≥1 they force α,β≥0\alpha,\beta\ge0α,β≥0, γ≤α\gamma\le\alphaγ≤α, δ≤β\delta\le\betaδ≤β, and the λ\lambdaλ-condition then forces α<1\alpha<1α<1 and δ>αβ\delta>\alpha\betaδ>αβ.
  • K(x)K(x)K(x) is the translate {m(x)+k:k∈K~}\{m(x)+k : k\in\tilde K\}{m(x)+k:k∈K~} of a fixed set K~\tilde KK~, assumed nonempty, closed and convex. The projection is a nearest-point function proj that returns a junk value only when no nearest point exists; under the hypotheses of every statement using it, the nearest point exists and is unique, so proj is the paper's PPP. Theorem 5.1 is stated relationally (nearest-point predicate IsProj) to avoid junk values altogether.
  • "Contraction" is Mathlib's ContractingWith c F with c : ℝ≥0: c < 1 and a Lipschitz bound with that single constant. A constant allowed to depend on the points, or a Lipschitz bound without c < 1, is not a contraction and would trivialize the goal; so would a projection whose junk value is reachable (e.g. with K~\tilde KK~ empty), which makes FλF_\lambdaFλ​ unrelated to the paper's map. The fixed point must be linked to the GQVI and to the iteration from every starting point.
  • The square root in the Lipschitz estimate is Real.sqrt; its radicand is nonnegative under the hypotheses when n≥1n\ge1n≥1.
  • Useful infrastructure: Mathlib's ContractingWith.fixedPoint and ContractingWith.tendsto_iterate_fixedPoint (Banach), exists_norm_eq_iInf_of_complete_convex and norm_eq_iInf_iff_real_inner_le_zero (projection on convex sets), and the platform theorem VectorSpaceOpt.min_distance_convex_set. A general lemma that the Euclidean nearest-point map of a closed convex set is 1-Lipschitz is reusable well beyond this mission and is welcome as a separate contribution.

Selected references

  • D. Chan and J. S. Pang, The generalized quasi-variational inequality problem, Mathematics of Operations Research 7(2) (1982) 211–222. https://doi.org/10.1287/moor.7.2.211
  • S. C. Fang and E. L. Peterson, Generalized variational inequalities, Journal of Optimization Theory and Applications 38 (1982) 363–383. https://doi.org/10.1007/BF00935344
  • Y. Nesterov and L. Scrimali, Solving strongly monotone variational and quasi-variational inequalities, Discrete and Continuous Dynamical Systems 31(4) (2011) 1383–1396. https://doi.org/10.3934/dcds.2011.31.1383
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Projected Gradient Methods for Linearly Constrained Problems III: Finite Termination of a Gradient Projection Algorithm for Quadratic ProgrammingResearch Paper

Motivation

Quadratic programming, the minimisation of a quadratic function subject to linear inequality constraints, is a basic subproblem of nonlinear optimisation (sequential quadratic programming, trust-region methods) and a model in its own right in portfolio selection, least-squares estimation and control. The classical solution methods are active-set methods: they keep a set of constraints treated as equalities, minimise over the resulting affine set, and then decide which constraint to drop or add (Gill, Murray and Wright, Practical Optimization, 1981; Fletcher, Practical Methods of Optimization, Vol. 2, 1981). Their finite-termination proofs need either a nondegeneracy assumption (linearly independent active constraints) or an anti-cycling rule, because under degeneracy the choice of the constraint to drop, made from Lagrange multiplier estimates, can cycle.

Calamai and Moré (Mathematical Programming 39, 1987) showed that the gradient projection method can take over the step that leaves a working set. Their Algorithm 6.1 alternates two kinds of step: an arbitrary non-increasing step that adds constraints to the working set until the equality-constrained subproblem is solved, and a single projected-gradient step once it is solved. Theorem 6.2 states that this algorithm terminates at a stationary point for every quadratic that is bounded below on the feasible polyhedron, with no nondegeneracy assumption and no anti-cycling rule. The same paper's Sections 2–4 (the subject of the first two missions of this series) supply the properties of the gradient projection step that the argument uses.

Timeline of the ingredients:

  • 1964, 1966: Goldstein and Levitin–Polyak introduce the gradient projection method xk+1=P(xk−αk∇f(xk))x_{k+1} = P(x_k - \alpha_k\nabla f(x_k))xk+1​=P(xk​−αk​∇f(xk​)) for convex constraint sets.
  • 1976: Bertsekas proves finite identification of the active constraints for bound constraints and the Armijo rule.
  • 1981: Dunn uses the descent inequalities (2.4)–(2.5) in the analysis of the method.
  • 1987: Calamai and Moré generalise the step rule to (2.1)–(2.2), prove convergence of projected gradients, identification of active constraints for general polyhedra, and finite termination of Algorithm 6.1.

Setting

Let EEE be a finite-dimensional real inner product space (the paper's Rn\mathbb{R}^nRn with a general inner product). The feasible set is a polyhedron

Ω={x∈E:⟨cj,x⟩≥δj, j=1,…,m},\Omega = \{x \in E : \langle c_j, x\rangle \ge \delta_j,\ j = 1, \dots, m\},Ω={x∈E:⟨cj​,x⟩≥δj​, j=1,…,m},

with active set A(x)={j:⟨cj,x⟩=δj}A(x) = \{j : \langle c_j, x\rangle = \delta_j\}A(x)={j:⟨cj​,x⟩=δj​}. The objective is a quadratic function f(x)=12⟨x,Qx⟩+⟨b,x⟩+c0f(x) = \tfrac12\langle x, Qx\rangle + \langle b, x\rangle + c_0f(x)=21​⟨x,Qx⟩+⟨b,x⟩+c0​ with QQQ self-adjoint but not necessarily positive semidefinite, so fff may be nonconvex. Its gradient ∇f\nabla f∇f is taken with respect to the inner product of EEE.

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}, and 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 every x∈Ωx \in \Omegax∈Ω.

A gradient projection step from xkx_kxk​ is xk+1=P(xk−αk∇f(xk))x_{k+1} = P(x_k - \alpha_k\nabla f(x_k))xk+1​=P(xk​−αk​∇f(xk​)) with αk>0\alpha_k > 0αk​>0 satisfying the sufficient decrease condition (2.1) with a constant μ1∈(0,1)\mu_1 \in (0,1)μ1​∈(0,1), the condition (2.2) that 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 the decrease test (2.3) with constant μ2∈(0,1)\mu_2 \in (0,1)μ2​∈(0,1) fails, and the upper bound αk≤γ3\alpha_k \le \gamma_3αk​≤γ3​ (3.2).

A working set is a set W⊆{1,…,m}W \subseteq \{1, \dots, m\}W⊆{1,…,m}; problem (6.2) is min⁡{f(y):⟨cj,y⟩=δj, j∈W}\min\{f(y) : \langle c_j, y\rangle = \delta_j,\ j \in W\}min{f(y):⟨cj​,y⟩=δj​, j∈W}, over an affine set that ignores the inequality constraints outside WWW.

Algorithm 6.1 produces iterates xk∈Ωx_k \in \Omegaxk​∈Ω and working sets Wk⊆A(xk)W_k \subseteq A(x_k)Wk​⊆A(xk​) from x0∈Ωx_0 \in \Omegax0​∈Ω:

  • (a) if xkx_kxk​ is a global minimiser of (6.2) for WkW_kWk​, then xk+1x_{k+1}xk+1​ is a gradient projection step from xkx_kxk​;
  • (b) otherwise xk+1∈Ωx_{k+1} \in \Omegaxk+1​∈Ω, f(xk+1)≤f(xk)f(x_{k+1}) \le f(x_k)f(xk+1​)≤f(xk​), Wk⊆Wk+1W_k \subseteq W_{k+1}Wk​⊆Wk+1​, and if Wk+1=WkW_{k+1} = W_kWk+1​=Wk​ then xk+1x_{k+1}xk+1​ is a global minimiser of (6.2).

Formalization targets

Goal: Theorem 6.2

For every quadratic fff bounded below on Ω\OmegaΩ, all constants γ1,γ2>0\gamma_1, \gamma_2 > 0γ1​,γ2​>0, μ1,μ2∈(0,1)\mu_1, \mu_2 \in (0,1)μ1​,μ2​∈(0,1), γ3∈R\gamma_3 \in \mathbb{R}γ3​∈R, and every run (xk,Wk,αk)k≥0(x_k, W_k, \alpha_k)_{k\ge0}(xk​,Wk​,αk​)k≥0​ of Algorithm 6.1,

∃ l≥0:⟨∇f(xl),x−xl⟩≥0for all x∈Ω.\exists\, l \ge 0 :\quad \langle \nabla f(x_l), x - x_l\rangle \ge 0 \quad \text{for all } x \in \Omega.∃l≥0:⟨∇f(xl​),x−xl​⟩≥0for all x∈Ω.

The theorem makes no assumption on the boundedness of the iterates and none on the linear independence of the constraints.

Milestones

  • Lemma 2.1(a): for nonempty closed convex Ω\OmegaΩ, z∈Ωz \in \Omegaz∈Ω and any xxx, ⟨P(x)−x,z−P(x)⟩≥0\langle P(x) - x, z - P(x)\rangle \ge 0⟨P(x)−x,z−P(x)⟩≥0.
  • Eq. (2.5): for xk∈Ωx_k \in \Omegaxk​∈Ω, αk>0\alpha_k > 0αk​>0 and xk+1=P(xk−αk∇f(xk))x_{k+1} = P(x_k - \alpha_k\nabla f(x_k))xk+1​=P(xk​−αk​∇f(xk​)),
⟨∇f(xk),xk−xk+1⟩≥∥xk+1−xk∥2αk.\langle\nabla f(x_k), x_k - x_{k+1}\rangle \ge \frac{\|x_{k+1} - x_k\|^2}{\alpha_k}.⟨∇f(xk​),xk​−xk+1​⟩≥αk​∥xk+1​−xk​∥2​.

Significance

Theorem 6.2 separates the two roles an active-set method plays: solving equality-constrained subproblems, for which any method that does not increase fff may be used, and choosing the next working set, which the gradient projection step does. The consequence is a finitely terminating quadratic programming algorithm for nonconvex quadratics that needs neither nondegeneracy nor an anti-cycling rule, and a template for large-scale bound-constrained and linearly constrained solvers that combine projection steps with subspace minimisation.

The result is proved in the paper and is classical; no machine-checked version is known. A formalization produces a checked finite-termination theorem for an active-set method on degenerate problems, together with reusable pieces: the projection onto a polyhedron as a total function with its variational inequality, the descent estimate of a projected step, and a predicate describing active-set runs with working sets, which other active-set algorithms can reuse.

Difficulty

The obvious argument — each step decreases fff and there are finitely many working sets — fails on two counts. First, step (b) only guarantees f(xk+1)≤f(xk)f(x_{k+1}) \le f(x_k)f(xk+1​)≤f(xk​), so fff values alone do not rule out infinitely many iterations; the nesting of working sets and the final clause of step (b) are what bound consecutive (b)-steps. Second, a gradient projection step taken at a solution of (6.2) can in principle leave fff unchanged, and nothing in the algorithm's rules says directly that it makes progress; that it does so at every non-stationary iterate is a property of the projection and of the step conditions (2.1)–(2.2), not of the algorithm. A further point is that the minimum of (6.2) is taken over an affine set, not over Ω\OmegaΩ, and the link between the value at a step-(a) iterate and later iterates runs through the requirement Wk⊆A(xk)W_k \subseteq A(x_k)Wk​⊆A(xk​).

Formalization scope

The space is a finite-dimensional real inner product space E; ∇f\nabla f∇f is Mathlib's gradient. Constraints are indexed by Fin m, working and active sets are Finset (Fin m), and a run is a predicate IsAlgorithm61Run on three sequences x:N→Ex : \mathbb{N} \to Ex:N→E, WWW, α\alphaα indexed from 000. The run does not stop by itself; "the algorithm terminates at a stationary iterate" is rendered as the existence of an index lll with xlx_lxl​ stationary. The projection is argmin made total by a junk value 000 that is unreachable when Ω\OmegaΩ is nonempty, closed and convex. The paper's "⊂\subset⊂" between working sets is inclusion. A quadratic function is 12⟨x,Qx⟩+⟨b,x⟩+c0\tfrac12\langle x, Qx\rangle + \langle b, x\rangle + c_021​⟨x,Qx⟩+⟨b,x⟩+c0​ with QQQ symmetric and no definiteness assumption.

A trivializing formalization — a run predicate that forces x0x_0x0​ to be stationary, or that no sequence satisfies — would make the goal empty; the step rules here are the paper's verbatim, and a run on Ω=[0,∞)⊂R\Omega = [0,\infty) \subset \mathbb{R}Ω=[0,∞)⊂R with f(x)=xf(x) = xf(x)=x starting at the non-stationary point x0=1x_0 = 1x0​=1 satisfies the predicate. Replacing step (a) by "any step that strictly decreases fff" would assume the central fact and is not acceptable.

A complete development needs: the variational inequality of the projection (Lemma 2.1(a)), the descent estimate (2.5), the characterisation of stationary points as fixed points of the projected step, and a finiteness argument over the finitely many subsets of Fin m. Proofs of the milestones, of these auxiliary facts, and of the goal are all welcome.

Selected references

  • P. H. Calamai and 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 and 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
  • P. E. Gill, W. Murray and M. H. Wright, Practical Optimization, Academic Press, 1981. https://doi.org/10.1137/1.9781611975604
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Linear algebraProbabilityRandom Matrix Theory·Captain: mikedeng1

Randomized Algorithms for Estimating the Trace of an Implicit Symmetric Positive Semi-Definite Matrix V: Sample Bound for the Mixed Unit Vector Trace EstimatorResearch Paper

Motivation

Many computations in numerical linear algebra, statistics and computational physics need the trace of a matrix AAA that is never formed explicitly: AAA may be an inverse, a matrix function f(B)f(B)f(B), or a product of large operators, and the only affordable access is a routine that returns AvAvAv or vTAvv^TAvvTAv for a given vector vvv. Monte Carlo trace estimators handle this setting: draw random vectors zzz and average the quadratic forms zTAzz^TAzzTAz, each of which costs one matrix–vector product.

Avron and Toledo (J. ACM 2011) compare such estimators by the number of samples MMM that guarantee relative error ϵ\epsilonϵ with probability 1−δ1-\delta1−δ, and by the number of random bits each sample consumes. Hutchinson's estimator (Hutchinson 1990) and the Gaussian estimator need Ω(n)\Omega(n)Ω(n) random bits per sample. Section 8 of the paper studies two estimators that sample only from the nnn standard basis vectors and so need about log⁡2n\log_2 nlog2​n bits per sample, which allows the samples to be generated in advance. The plain version has a sample bound that depends on how uneven the diagonal of AAA is; the mixed version first multiplies AAA on both sides by a random orthogonal mixing matrix of the kind introduced by Ailon and Chazelle (2006) for the fast Johnson–Lindenstrauss transform and used by Avron, Maymounkov and Toledo (2010) in least-squares solvers. This mission formalizes the resulting sample bound, Theorem 8.4.

Setting

Let n≥1n \ge 1n≥1, let A∈Rn×nA \in \mathbb{R}^{n\times n}A∈Rn×n be symmetric positive semi-definite, and let e1,…,ene_1,\ldots,e_ne1​,…,en​ be the standard basis of Rn\mathbb{R}^nRn.

A random variable 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-\deltaPr(∣T−trace(A)∣≤ϵtrace(A))≥1−δ

(Definition 4.1).

The unit vector estimator with MMM samples is

UM=nM∑i=1MziTAzi,U_M = \frac{n}{M}\sum_{i=1}^M z_i^TAz_i,UM​=Mn​i=1∑M​ziT​Azi​,

where z1,…,zMz_1,\ldots,z_Mz1​,…,zM​ are independent uniform random samples from {e1,…,en}\{e_1,\ldots,e_n\}{e1​,…,en​} (Definition 3.4). Each term ziTAziz_i^TAz_iziT​Azi​ is a diagonal entry of AAA chosen uniformly at random. Its behaviour is governed by

rD(A)=n⋅max⁡iAiitrace(A),r_D(A) = \frac{n\cdot\max_i A_{ii}}{\mathrm{trace}(A)},rD​(A)=trace(A)n⋅maxi​Aii​​,

which lies between 111 and nnn.

A random mixing matrix is F=FD\mathcal F = FDF=FD, where the seed FFF is a fixed orthogonal n×nn\times nn×n matrix and DDD is diagonal with i.i.d. Rademacher entries, Pr⁡(Dii=±1)=1/2\Pr(D_{ii}=\pm1) = 1/2Pr(Dii​=±1)=1/2 (Definition 3.5). The seed enters through

η=max⁡i,j∣Fij∣2,\eta = \max_{i,j}|F_{ij}|^2,η=i,jmax​∣Fij​∣2,

which satisfies 1/n≤η≤11/n \le \eta \le 11/n≤η≤1; normalized DFT and Hadamard matrices attain η=1/n\eta = 1/nη=1/n, DCT and DHT matrices have η=2/n\eta = 2/nη=2/n (p. 8:5).

The mixed unit vector estimator is

TM=nM∑i=1MziTFAFTzi,T_M = \frac{n}{M}\sum_{i=1}^M z_i^T\mathcal F A\mathcal F^T z_i,TM​=Mn​i=1∑M​ziT​FAFTzi​,

with z1,…,zMz_1,\ldots,z_Mz1​,…,zM​ as above, independent of DDD (Definition 3.6). It is the unit vector estimator applied to FAFT\mathcal FA\mathcal F^TFAFT, whose trace equals trace(A)\mathrm{trace}(A)trace(A).

Formalization targets

Goal: Theorem 8.4

For every orthogonal seed FFF, every symmetric positive semi-definite AAA, every ϵ>0\epsilon > 0ϵ>0, δ∈(0,1)\delta \in (0,1)δ∈(0,1) and every M≥1M \ge 1M≥1,

M ≥ 2n2η2ϵ−2ln⁡(4/δ)ln⁡2(4n2/δ)⟹TM is an (ϵ,δ)-approximator of trace(A).M \ \ge\ 2n^2\eta^2\epsilon^{-2}\ln(4/\delta)\ln^2(4n^2/\delta) \quad\Longrightarrow\quad T_M \text{ is an } (\epsilon,\delta)\text{-approximator of } \mathrm{trace}(A).M ≥ 2n2η2ϵ−2ln(4/δ)ln2(4n2/δ)⟹TM​ is an (ϵ,δ)-approximator of trace(A).

Milestones

  1. Lemma 8.1. For symmetric AAA, E(U1)=trace(A)\mathrm{E}(U_1) = \mathrm{trace}(A)E(U1​)=trace(A) and Var(U1)=n∑iAii2−trace2(A)\mathrm{Var}(U_1) = n\sum_{i}A_{ii}^2 - \mathrm{trace}^2(A)Var(U1​)=n∑i​Aii2​−trace2(A).
  2. Theorem 8.2. UMU_MUM​ is an (ϵ,δ)(\epsilon,\delta)(ϵ,δ)-approximator of trace(A)\mathrm{trace}(A)trace(A) whenever
M≥12ϵ−2ln⁡(2/δ) rD2(A).M \ge \tfrac12\epsilon^{-2}\ln(2/\delta)\,r_D^2(A).M≥21​ϵ−2ln(2/δ)rD2​(A).
  1. Lemma 8.3. For U∈Rn×mU \in \mathbb{R}^{n\times m}U∈Rn×m with orthonormal columns and δ>0\delta > 0δ>0, with probability at least 1−δ1-\delta1−δ,
∣(FU)ij∣≤2ηln⁡(2mn/δ)for all i,j.|(\mathcal FU)_{ij}| \le \sqrt{2\eta\ln(2mn/\delta)} \quad\text{for all } i,j.∣(FU)ij​∣≤2ηln(2mn/δ)​for all i,j.
  1. Proof of Theorem 8.4, p. 8:13. With probability at least 1−δ/21-\delta/21−δ/2 over DDD, 0≤(FAFT)jj≤2ηln⁡(4n2/δ) trace(A)0 \le (\mathcal FA\mathcal F^T)_{jj} \le 2\eta\ln(4n^2/\delta)\,\mathrm{trace}(A)0≤(FAFT)jj​≤2ηln(4n2/δ)trace(A) for all jjj, and hence
rD(FAFT)≤2nηln⁡(4n2/δ).r_D(\mathcal FA\mathcal F^T) \le 2n\eta\ln(4n^2/\delta).rD​(FAFT)≤2nηln(4n2/δ).

Significance

Theorem 8.2 alone shows that the unit vector estimator can need order n2n^2n2 samples: when the trace is concentrated on one diagonal entry, rD(A)=nr_D(A) = nrD​(A)=n. Theorem 8.4 removes the dependence on AAA entirely. For a Fourier-type seed with η=Θ(1/n)\eta = \Theta(1/n)η=Θ(1/n) the bound becomes O(ϵ−2ln⁡(1/δ)ln⁡2(n/δ))O(\epsilon^{-2}\ln(1/\delta)\ln^2(n/\delta))O(ϵ−2ln(1/δ)ln2(n/δ)) samples for every positive semi-definite AAA, while each sample still costs about log⁡2n\log_2 nlog2​n random bits, and the nnn bits of DDD are drawn once. Among the estimators of the paper this is the only one with both an AAA-independent sample bound and logarithmic randomness per sample (Table I, p. 8:5). Lemma 8.3 is a standalone statement about randomized orthogonal transforms that is used well beyond trace estimation, in the analysis of subsampled randomized Hadamard transforms, sketching-based least squares, and fast Johnson–Lindenstrauss embeddings.

All results of the mission are proved in the literature: Lemma 8.3 in the cited works, the rest in the paper. As far as the platform's catalogue shows, none has a machine-checked proof. The mission produces checked statements of the paper's Section 8 with their exact constants, a probability model for random sign matrices and uniform basis-vector sampling that other randomized linear-algebra missions can reuse, and, once proved, a checked instance of Hoeffding's inequality applied to a concrete estimator.

Difficulty

The obvious argument for Theorem 8.4 applies Theorem 8.2 to FAFT\mathcal FA\mathcal F^TFAFT. That matrix is random, so Theorem 8.2, which is a statement about a fixed matrix, cannot be applied directly: the proof must condition on DDD, use that the samples ziz_izi​ are independent of DDD, and combine a failure event over DDD with a conditional failure event over the ziz_izi​, each with probability at most δ/2\delta/2δ/2. The second difficulty is Lemma 8.3: each entry (FU)ij=∑kFikDkkUkj(\mathcal FU)_{ij} = \sum_k F_{ik}D_{kk}U_{kj}(FU)ij​=∑k​Fik​Dkk​Ukj​ is a Rademacher sum whose coefficient vector has squared norm at most η\etaη, and the bound needs a sub-Gaussian tail for such sums together with a union bound over all mnmnmn entries. Bounding the diagonal of FAFT\mathcal FA\mathcal F^TFAFT through the diagonal of AAA alone does not work: each mixed diagonal entry depends on all entries of AAA, including the off-diagonal ones.

Formalization scope

Everything is over R\mathbb{R}R. The paper allows complex unitary seeds; since the estimator uses the transpose FT\mathcal F^TFT, the mission takes FFF real orthogonal (FTF=IF^TF = IFTF=I). Matrices are Matrix (Fin n) (Fin n) ℝ, "symmetric positive semi-definite" is Matrix.PosSemidef, and n≥1n \ge 1n≥1 is assumed throughout. The sample spaces are explicit product measures: indices k1,…,kMk_1,\ldots,k_Mk1​,…,kM​ uniform on Fin n with zi=ekiz_i = e_{k_i}zi​=eki​​, the diagonal of DDD with the nnn-fold Rademacher product law, and, for TMT_MTM​, the product of the two, which makes DDD and the ziz_izi​ independent as the paper assumes implicitly. Probabilities are Measure.real. η\etaη and max⁡iAii\max_i A_{ii}maxi​Aii​ are maxima over finite nonempty index sets; rDr_DrD​ uses real division, whose value at trace(A)=0\mathrm{trace}(A) = 0trace(A)=0 is irrelevant because a positive semi-definite matrix with zero trace is 000. The sample-count thresholds are exactly the paper's constants.

Deviations from the page, all recorded in the items' Formalization Notes: Definition 3.4 and Theorem 8.2 are stated for positive semi-definite rather than positive definite AAA (the proof uses only Aii≥0A_{ii} \ge 0Aii​≥0); Table I's entry 8ϵ−2ln⁡(4n2/δ)ln⁡(4/δ)8\epsilon^{-2}\ln(4n^2/\delta)\ln(4/\delta)8ϵ−2ln(4n2/δ)ln(4/δ) for the mixed estimator, which disagrees with Theorem 8.4, is not used; the proof of Theorem 8.4 prints the conditional failure probability as "≤1−δ/2\le 1-\delta/2≤1−δ/2" where δ/2\delta/2δ/2 is meant, and no statement copies it; Remark 8.5 ("for some small CCC") has no pinned constant and is not stated.

A formalization in which DDD is an arbitrary orthogonal diagonal matrix, the ziz_izi​ are correlated with DDD, or the law of the estimator is assumed rather than constructed would make the goal either false or a restatement of its hypotheses; the product-measure model rules this out.

Needed infrastructure: Hoeffding's inequality for bounded i.i.d. sums (in Mathlib as sub-Gaussian moment generating function bounds), a sub-Gaussian tail for Rademacher linear combinations, conditioning on one factor of a product measure, and the spectral theorem for real symmetric matrices. The Rademacher sign model and the random-mixing-matrix entry bound are reusable beyond this mission. Proofs of any milestone, and alternative arguments for Lemma 8.3, are welcome.

Selected references

  • H. Avron and S. Toledo, Randomized algorithms for estimating the trace of an implicit symmetric positive semi-definite matrix, J. ACM 58(2), Article 8, 2011. https://doi.org/10.1145/1944345.1944349
  • N. Ailon and B. Chazelle, Approximate nearest neighbors and the fast Johnson–Lindenstrauss transform, STOC 2006. https://doi.org/10.1145/1132516.1132597
  • H. Avron, P. Maymounkov and S. Toledo, Blendenpik: Supercharging LAPACK's least-squares solver, SIAM J. Sci. Comput. 32(3), 2010. https://doi.org/10.1137/090767911
  • M. F. Hutchinson, A stochastic estimator of the trace of the influence matrix for Laplacian smoothing splines, Comm. Statist. Simulation Comput. 19(2), 1990. https://doi.org/10.1080/03610919008812866
  • W. Hoeffding, Probability inequalities for sums of bounded random variables, J. Amer. Statist. Assoc. 58, 1963. https://doi.org/10.1080/01621459.1963.10500830
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Operations ResearchOptimization·Captain: mikedeng1

A Nonmonotone Line Search Technique and Its Application to Unconstrained Optimization I: Global Convergence to Stationary PointsResearch Paper

Motivation

Line searches are the step-size rules inside most methods for smooth unconstrained minimization min⁡x∈Rnf(x)\min_{x \in \mathbb{R}^n} f(x)minx∈Rn​f(x): steepest descent, conjugate gradient, quasi-Newton and limited-memory methods all choose a direction dkd_kdk​ and then a step αk\alpha_kαk​ along it. Classical Armijo and Wolfe rules are monotone: they require f(xk+1)<f(xk)f(x_{k+1}) < f(x_k)f(xk+1​)<f(xk​). Grippo, Lampariello and Lucidi (SIAM J. Numer. Anal., 1986) observed that insisting on monotone decrease can slow a method down, and proposed comparing f(xk+1)f(x_{k+1})f(xk+1​) with the maximum of the last MMM function values instead. That max-based rule discards good function values and depends strongly on MMM, and Dai showed that R-linearly convergent iterates can violate it for every fixed memory MMM.

Zhang and Hager (SIAM J. Optim., 2004) replaced the maximum by a weighted average of all previous function values. Their averaged nonmonotone line search is used in practical codes, for example with L-BFGS and in later nonmonotone spectral and conjugate-gradient methods. This mission formalizes the paper's first main result: global convergence to stationary points for nonconvex fff.

Setting

Let f:Rn→Rf : \mathbb{R}^n \to \mathbb{R}f:Rn→R be continuously differentiable, with gradient gk=∇f(xk)g_k = \nabla f(x_k)gk​=∇f(xk​) at the kkk-th iterate. The Nonmonotone Line Search Algorithm (NLSA) has parameters

0≤ηmin⁡≤ηmax⁡≤1,0<δ<σ<1<ρ,μ>0.0 \le \eta_{\min} \le \eta_{\max} \le 1, \qquad 0 < \delta < \sigma < 1 < \rho, \qquad \mu > 0.0≤ηmin​≤ηmax​≤1,0<δ<σ<1<ρ,μ>0.

It maintains weights QkQ_kQk​ and reference values CkC_kCk​:

Q0=1, C0=f(x0),Qk+1=ηkQk+1,Ck+1=ηkQkCk+f(xk+1)Qk+1,(1.6)Q_0 = 1,\ C_0 = f(x_0), \qquad Q_{k+1} = \eta_k Q_k + 1, \qquad C_{k+1} = \frac{\eta_k Q_k C_k + f(x_{k+1})}{Q_{k+1}}, \qquad (1.6)Q0​=1, C0​=f(x0​),Qk+1​=ηk​Qk​+1,Ck+1​=Qk+1​ηk​Qk​Ck​+f(xk+1​)​,(1.6)

with ηk∈[ηmin⁡,ηmax⁡]\eta_k \in [\eta_{\min}, \eta_{\max}]ηk​∈[ηmin​,ηmax​] chosen at each step. The iterates are xk+1=xk+αkdkx_{k+1} = x_k + \alpha_k d_kxk+1​=xk​+αk​dk​, where the step αk>0\alpha_k > 0αk​>0 satisfies one of two rules, fixed for the whole run:

  • the nonmonotone Wolfe conditions
f(xk+αkdk)≤Ck+δαkgkTdk(1.4),∇f(xk+αkdk)dk≥σgkTdk(1.5);f(x_k + \alpha_k d_k) \le C_k + \delta \alpha_k g_k^{\mathsf T} d_k \quad (1.4), \qquad \nabla f(x_k + \alpha_k d_k) d_k \ge \sigma g_k^{\mathsf T} d_k \quad (1.5);f(xk​+αk​dk​)≤Ck​+δαk​gkT​dk​(1.4),∇f(xk​+αk​dk​)dk​≥σgkT​dk​(1.5);
  • the nonmonotone Armijo conditions: αk=αˉkρhk\alpha_k = \bar\alpha_k \rho^{h_k}αk​=αˉk​ρhk​, where αˉk>0\bar\alpha_k > 0αˉk​>0 is a trial step and hkh_khk​ is the largest integer such that (1.4) holds and αk≤μ\alpha_k \le \muαk​≤μ.

The choice ηk=0\eta_k = 0ηk​=0 gives Ck=f(xk)C_k = f(x_k)Ck​=f(xk​), the monotone line search; ηk=1\eta_k = 1ηk​=1 gives Ck=Ak=1k+1∑i≤kf(xi)C_k = A_k = \frac{1}{k+1}\sum_{i \le k} f(x_i)Ck​=Ak​=k+11​∑i≤k​f(xi​).

The direction assumption asks for constants c1,c2>0c_1, c_2 > 0c1​,c2​>0 with gkTdk≤−c1∥gk∥2g_k^{\mathsf T} d_k \le -c_1\|g_k\|^2gkT​dk​≤−c1​∥gk​∥2 (2.4) and ∥dk∥≤c2∥gk∥\|d_k\| \le c_2\|g_k\|∥dk​∥≤c2​∥gk​∥ (2.5) for all sufficiently large kkk. The level set is L={x:f(x)≤f(x0)}\mathcal L = \{x : f(x) \le f(x_0)\}L={x:f(x)≤f(x0​)}, and Lˉ\bar{\mathcal L}Lˉ is the set of points whose distance to L\mathcal LL is at most μdmax⁡\mu d_{\max}μdmax​, where dmax⁡=sup⁡k∥dk∥d_{\max} = \sup_k \|d_k\|dmax​=supk​∥dk​∥.

Formalization targets

Goal: Theorem 2.2

Suppose fff is bounded from below, gkTdk≤0g_k^{\mathsf T} d_k \le 0gkT​dk​≤0 for every kkk, the direction assumption holds, and ∇f\nabla f∇f is Lipschitz continuous on L\mathcal LL (Wolfe rule) or on Lˉ\bar{\mathcal L}Lˉ (Armijo rule). Then

lim inf⁡k→∞∥∇f(xk)∥=0,(2.6)\liminf_{k \to \infty} \|\nabla f(x_k)\| = 0, \qquad (2.6)k→∞liminf​∥∇f(xk​)∥=0,(2.6)

and if ηmax⁡<1\eta_{\max} < 1ηmax​<1,

lim⁡k→∞∇f(xk)=0,(2.7)\lim_{k \to \infty} \nabla f(x_k) = 0, \qquad (2.7)k→∞lim​∇f(xk​)=0,(2.7)

so every limit of a convergent subsequence of iterates is a stationary point. No convexity is assumed.

Milestones

  • Lemma 1.1: fk≤Ck≤Akf_k \le C_k \le A_kfk​≤Ck​≤Ak​ along the run, and a Wolfe step and a largest Armijo exponent exist whenever gkTdk<0g_k^{\mathsf T} d_k < 0gkT​dk​<0 and fff is bounded below.
  • Eq. (1.8): Qj+1=1+∑i=0j∏m=0iηj−m≤j+2Q_{j+1} = 1 + \sum_{i=0}^{j} \prod_{m=0}^{i} \eta_{j-m} \le j+2Qj+1​=1+∑i=0j​∏m=0i​ηj−m​≤j+2.
  • Lemma 2.1: the lower bounds (2.1) and (2.2) on accepted Wolfe and Armijo steps.
  • Eqs. (2.8)–(2.9): fk+1≤Ck−β∥gk∥2f_{k+1} \le C_k - \beta\|g_k\|^2fk+1​≤Ck​−β∥gk​∥2 with the explicit constant
β=min⁡{δμc1ρ,2δ(1−δ)c12Lρc22,δ(1−σ)c12Lc22}.\beta = \min\left\{\frac{\delta\mu c_1}{\rho}, \frac{2\delta(1-\delta)c_1^2}{L\rho c_2^2}, \frac{\delta(1-\sigma)c_1^2}{Lc_2^2}\right\}.β=min{ρδμc1​​,Lρc22​2δ(1−δ)c12​​,Lc22​δ(1−σ)c12​​}.
  • Eq. (2.14): ∑k∥gk∥2/Qk+1<∞\sum_k \|g_k\|^2 / Q_{k+1} < \infty∑k​∥gk​∥2/Qk+1​<∞.
  • Eq. (2.15): Qk+1≤1/(1−ηmax⁡)Q_{k+1} \le 1/(1-\eta_{\max})Qk+1​≤1/(1−ηmax​) when ηmax⁡<1\eta_{\max} < 1ηmax​<1.
  • Corollary 2.3: the analogue of Theorem 2.2 when (2.5) is replaced by the growth condition ∥dk∥2≤τ1+τ2k\|d_k\|^2 \le \tau_1 + \tau_2 k∥dk​∥2≤τ1​+τ2​k (2.16).

Significance

Theorem 2.2 is the convergence guarantee that makes the averaged reference value CkC_kCk​ usable in practice: any direction method whose directions are uniformly gradient-related (for example L-BFGS with bounded Hessian approximations) inherits stationarity of its limit points when combined with this line search, for every choice of the weights ηk\eta_kηk​. The monotone Wolfe and Armijo results are the special case ηk≡0\eta_k \equiv 0ηk​≡0. The same estimates, (2.8) and (2.15), are the input to the paper's second main result, R-linear convergence for strongly convex fff (Theorem 3.1, a separate mission in this series).

The result is proved in the paper. It has no machine-checked proof that this mission is aware of: the platform has monotone backtracking statements for convex problems, but no nonmonotone line search, no Wolfe conditions and no Zoutendijk-type global convergence theorem for nonconvex fff. A complete development also provides reusable Lean statements of the Wolfe and Armijo conditions and of step-size lower bounds under local Lipschitz continuity of the gradient.

Difficulty

Each step is elementary, but the argument has several places where a naive formalization fails. The Lipschitz hypothesis is only local: on L\mathcal LL for the Wolfe rule, on the μdmax⁡\mu d_{\max}μdmax​-neighbourhood Lˉ\bar{\mathcal L}Lˉ for the Armijo rule. So the proof must first show that every iterate stays in L\mathcal LL even though f(xk)f(x_k)f(xk​) is not monotone. This needs fk≤Ckf_k \le C_kfk​≤Ck​ and the monotonicity of CkC_kCk​, and then that the Armijo rule's rejected trial point xk+ραkdkx_k + \rho\alpha_k d_kxk​+ραk​dk​ lies in Lˉ\bar{\mathcal L}Lˉ. The Armijo lower bound uses the maximality of the integer exponent hkh_khk​ and a first-order Taylor bound along a segment. The passage from (2.14) to (2.6) and (2.7) uses the two growth bounds on Qk+1Q_{k+1}Qk+1​. The first gives only lim inf⁡\liminfliminf, since ∑∥gk∥2/(k+2)<∞\sum \|g_k\|^2/(k+2) < \infty∑∥gk​∥2/(k+2)<∞ does not force gk→0g_k \to 0gk​→0.

Formalization scope

The space is EuclideanSpace ℝ (Fin n) with the Euclidean norm, fff is ContDiff ℝ 1, and the paper's row vector ∇f(x)\nabla f(x)∇f(x) acting on ddd is the inner product of Mathlib's gradient f x with ddd. QkQ_kQk​, CkC_kCk​ and AkA_kAk​ are defined by recursion from the run. A run is an infinite sequence (xk,dk,αk,ηk)(x_k, d_k, \alpha_k, \eta_k)(xk​,dk​,αk​,ηk​) satisfying the update, ηk∈[ηmin⁡,ηmax⁡]\eta_k \in [\eta_{\min}, \eta_{\max}]ηk​∈[ηmin​,ηmax​], and the chosen rule at every kkk. The stopping test is not modelled. The Armijo exponent ranges over Z\mathbb{Z}Z (it may be negative since ρ>1\rho > 1ρ>1), and "largest" is IsGreatest. dmax⁡d_{\max}dmax​ and the distance to L\mathcal LL are computed in [0,∞][0, \infty][0,∞], so unbounded directions give Lˉ=Rn\bar{\mathcal L} = \mathbb{R}^nLˉ=Rn.

The following repairs and readings of the printed statements are made:

  1. Theorem 2.2 and Corollary 2.3 assume ∇f(xk)dk≤0\nabla f(x_k) d_k \le 0∇f(xk​)dk​≤0 for every kkk. The printed theorem constrains dkd_kdk​ only for large kkk, but its proof needs f(xk+1)≤Ckf(x_{k+1}) \le C_kf(xk+1​)≤Ck​ at every step, which is the hypothesis of Lemma 1.1. Without it an early ascent step could leave L\mathcal LL, where nothing is assumed. The direction assumption itself stays "for all sufficiently large kkk".
  2. lim inf⁡k∥∇f(xk)∥=0\liminf_k \|\nabla f(x_k)\| = 0liminfk​∥∇f(xk​)∥=0 is stated as "for every ε>0\varepsilon > 0ε>0, ∥∇f(xk)∥<ε\|\nabla f(x_k)\| < \varepsilon∥∇f(xk​)∥<ε for infinitely many kkk".
  3. The final "Hence" sentence of Theorem 2.2 is stated under ηmax⁡<1\eta_{\max} < 1ηmax​<1, from which it is derived.
  4. In Corollary 2.3, "positive constants τ1,τ2\tau_1, \tau_2τ1​,τ2​" is read as τ1>0\tau_1 > 0τ1​>0, τ2≥0\tau_2 \ge 0τ2​≥0, since the corollary itself treats τ2=0\tau_2 = 0τ2​=0.
  5. Lemma 2.1 is stated pointwise for one iteration. Its Armijo case makes explicit the fact f(xk)≤Ckf(x_k) \le C_kf(xk​)≤Ck​ that the paper's proof invokes.

The following formalizations would make the goal trivial or empty and are ruled out:

  • a (2.6) written with Lean's real liminf, which is 000 for a divergent sequence;
  • a run class in which the step rule does not constrain αk\alpha_kαk​ (Wolfe without (1.4), Armijo without maximality of hkh_khk​), or which no sequence satisfies. The constant run f≡0f \equiv 0f≡0, dk=0d_k = 0dk​=0 satisfies both rules, so the class is nonempty;
  • assuming ∇f\nabla f∇f globally Lipschitz or the directions bounded.

Welcome contributions: proofs of the milestones in the listed order, and general lemmas on Wolfe and Armijo steps under local gradient Lipschitz continuity, which are reusable for other line-search methods.

Selected references

  • H. Zhang, W. W. Hager, A Nonmonotone Line Search Technique and Its Application to Unconstrained Optimization, SIAM J. Optim. 14(4):1043–1056, 2004. https://doi.org/10.1137/S1052623403428208
  • L. Grippo, F. Lampariello, S. Lucidi, A Nonmonotone Line Search Technique for Newton's Method, SIAM J. Numer. Anal. 23(4):707–716, 1986. https://doi.org/10.1137/0723046
  • Y.-H. Dai, On the Nonmonotone Line Search, J. Optim. Theory Appl. 112(2):315–330, 2002. https://doi.org/10.1023/A:1013653923062
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Linear algebraProbabilityRandom Matrix Theory·Captain: mikedeng1

Randomized Algorithms for Estimating the Trace of an Implicit Symmetric Positive Semi-Definite Matrix III: Sample Bound for Normalized Rayleigh-Quotient Trace EstimatorsResearch Paper

Motivation

Many computations in numerical linear algebra, statistics and computational physics need the trace of a matrix AAA that is never formed explicitly: AAA may be an inverse, a matrix function f(B)f(B)f(B), or a product of large operators, and the only affordable access is a routine that returns AvAvAv for a given vector vvv. Examples include log-determinants and the generalized cross-validation criterion in statistics, counting eigenvalues in an interval, and charge densities in electronic-structure computations. Monte Carlo trace estimators handle this setting: draw random vectors zzz, and average the quadratic forms zTAzz^TAzzTAz, each of which costs one matrix–vector product.

Hutchinson (1990) introduced the estimator with Rademacher vectors and computed its variance. Avron and Toledo (J. ACM 2011) replaced variance statements with sample bounds: how many samples MMM guarantee relative error ϵ\epsilonϵ with probability 1−δ1-\delta1−δ. Section 6 of their paper proves one such bound for an entire class of estimators at once, the normalized Rayleigh-quotient trace estimators, which contains Hutchinson's estimator and the unit vector estimator. This mission formalizes that bound (Theorem 6.1).

Setting

Let A∈Rn×nA \in \mathbb{R}^{n\times n}A∈Rn×n be symmetric positive semi-definite, with eigenvalues 0≤λ1≤⋯≤λn0 \le \lambda_1 \le \cdots \le \lambda_n0≤λ1​≤⋯≤λn​ and rank rank(A)\mathrm{rank}(A)rank(A). Write λn\lambda_nλn​ for the largest eigenvalue and

κf(A)=largest nonzero eigenvalue of Asmallest nonzero eigenvalue of A,\kappa_f(A) = \frac{\text{largest nonzero eigenvalue of }A}{\text{smallest nonzero eigenvalue of }A},κf​(A)=smallest nonzero eigenvalue of Alargest nonzero eigenvalue of A​,

defined for A≠0A \ne 0A=0; it is the condition number of AAA on its range.

A normalized Rayleigh-quotient trace estimator of AAA with MMM samples is

RM=1M∑i=1MziTAzi,R_M = \frac1M\sum_{i=1}^M z_i^TAz_i,RM​=M1​i=1∑M​ziT​Azi​,

where z1,…,zMz_1,\ldots,z_Mz1​,…,zM​ are independent random vectors in Rn\mathbb{R}^nRn with ziTzi=nz_i^Tz_i = nziT​zi​=n and E(ziTAzi)=trace(A)\mathrm{E}(z_i^TAz_i) = \mathrm{trace}(A)E(ziT​Azi​)=trace(A) for each iii (Definition 3.2). The vectors need not be identically distributed. Hutchinson's vectors (±1\pm1±1 entries, i.i.d. uniform) and the vectors n ek\sqrt n\,e_kn​ek​ with kkk uniform are instances.

A random variable 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-\deltaPr(∣T−trace(A)∣≤ϵtrace(A))≥1−δ

(Definition 4.1).

Formalization targets

Goal: Theorem 6.1, in the form its proof establishes

For every nonzero symmetric positive semi-definite AAA, every ϵ>0\epsilon>0ϵ>0, δ∈(0,1)\delta\in(0,1)δ∈(0,1), and every normalized Rayleigh-quotient estimator RMR_MRM​ of AAA,

M ≥ ln⁡(2/δ)⋅n2 κf2(A)2 rank2(A) ϵ2⟹RM is an (ϵ,δ)-approximator of trace(A).M \ \ge\ \frac{\ln(2/\delta)\cdot n^2\,\kappa_f^2(A)}{2\,\mathrm{rank}^2(A)\,\epsilon^2} \quad\Longrightarrow\quad R_M \text{ is an } (\epsilon,\delta)\text{-approximator of } \mathrm{trace}(A).M ≥ 2rank2(A)ϵ2ln(2/δ)⋅n2κf2​(A)​⟹RM​ is an (ϵ,δ)-approximator of trace(A).

Milestones (the displayed steps of the proof, p. 8:10)

  1. trace(A) κf(A)≥rank(A) λn\mathrm{trace}(A)\,\kappa_f(A) \ge \mathrm{rank}(A)\,\lambda_ntrace(A)κf​(A)≥rank(A)λn​.
  2. For every zzz with zTz=nz^Tz = nzTz=n:  0≤zTAz≤λnzTz=nλn≤nrank(A)trace(A) κf(A)\ 0 \le z^TAz \le \lambda_n z^Tz = n\lambda_n \le \frac{n}{\mathrm{rank}(A)}\mathrm{trace}(A)\,\kappa_f(A) 0≤zTAz≤λn​zTz=nλn​≤rank(A)n​trace(A)κf​(A).
  3. For every t>0t>0t>0:
Pr⁡(∣RM−trace(A)∣≥t)≤2exp⁡(−2M2rank2(A)t2Mn2trace2(A)κf2(A)).\Pr(|R_M-\mathrm{trace}(A)| \ge t) \le 2\exp\left(-\frac{2M^2\mathrm{rank}^2(A)t^2}{M n^2\mathrm{trace}^2(A)\kappa_f^2(A)}\right).Pr(∣RM​−trace(A)∣≥t)≤2exp(−Mn2trace2(A)κf2​(A)2M2rank2(A)t2​).
  1. For every ϵ>0\epsilon>0ϵ>0:
Pr⁡(∣RM−trace(A)∣≥ϵ trace(A))≤2exp⁡(−2Mrank2(A)ϵ2n2κf2(A)).\Pr(|R_M-\mathrm{trace}(A)| \ge \epsilon\,\mathrm{trace}(A)) \le 2\exp\left(-\frac{2M\mathrm{rank}^2(A)\epsilon^2}{n^2\kappa_f^2(A)}\right).Pr(∣RM​−trace(A)∣≥ϵtrace(A))≤2exp(−n2κf2​(A)2Mrank2(A)ϵ2​).

Significance

The result is distribution-free within the class: it needs only normalization and unbiasedness, so it covers Hutchinson's estimator, the unit vector estimator and any future normalized scheme with one argument. For well-conditioned matrices of full or nearly full rank the required number of samples is O(ϵ−2ln⁡(1/δ))O(\epsilon^{-2}\ln(1/\delta))O(ϵ−2ln(1/δ)), independent of nnn. For ill-conditioned matrices the bound degrades with κf2(A)\kappa_f^2(A)κf2​(A), which is the reason the paper proves sharper estimator-specific bounds in Sections 7 and 8; Theorem 6.1 is the baseline those results are compared against (Table I, p. 8:5).

The theorem is proved in the paper. No machine-checked version of it, or of any sample bound for trace estimators, is known to exist. The formalization adds a precise statement of the class of estimators on a general probability space, a corrected threshold (see below), and a Lean development that connects Mathlib's spectral theorem for symmetric matrices with its Hoeffding inequality for independent bounded variables.

Difficulty

Each step is short on paper; the work is in the interfaces. The eigenvalue inequality of milestone 1 requires relating the number of nonzero eigenvalues (with multiplicity) to rank(A)\mathrm{rank}(A)rank(A) and handling the maximum and minimum over the nonzero spectrum. Milestone 2 is the Rayleigh-quotient bound zTAz≤λnzTzz^TAz \le \lambda_n z^TzzTAz≤λn​zTz, which is a consequence of the spectral decomposition rather than a one-line identity. Milestone 3 applies Hoeffding's inequality to summands that are bounded only almost surely, are not identically distributed, and whose mean is fixed by hypothesis rather than computed; the two-sided bound must be assembled from two one-sided tails, and the event ∣RM−trace(A)∣≥t|R_M - \mathrm{trace}(A)| \ge t∣RM​−trace(A)∣≥t must be rescaled to a statement about the sum ∑iziTAzi\sum_i z_i^TAz_i∑i​ziT​Azi​. A naive attempt that fixes a particular distribution for the ziz_izi​ (Rademacher, say) proves a different, narrower theorem and does not settle the goal.

Formalization scope

  • Matrices and spectrum. AAA is Matrix (Fin n) (Fin n) ℝ with A.PosSemidef and A ≠ 0; eigenvalues are Mathlib's IsHermitian.eigenvalues. λn\lambda_nλn​ is lambdaMax (the maximum eigenvalue) and κf(A)\kappa_f(A)κf​(A) is kappaF (maximum over minimum of the finite set of nonzero eigenvalues); both are Finset.max'/min'/sup' of nonempty finite sets. κf(0)\kappa_f(0)κf​(0) is a placeholder, and every statement assumes A≠0A \ne 0A=0.
  • Probability model. A general probability space (Ω,P)(\Omega, P)(Ω,P) and random vectors z : Fin M → Ω → Fin n → ℝ satisfying IsNormalizedRayleighSample P A z: each ziz_izi​ measurable, the family mutually independent (iIndepFun), ziTzi=nz_i^Tz_i = nziT​zi​=n almost surely, and ∫ziTAzi dP=trace(A)\int z_i^TAz_i\,dP = \mathrm{trace}(A)∫ziT​Azi​dP=trace(A). The estimator is universally quantified over this class. Unbiasedness is required for the given AAA only, as on the page. Probabilities are P.real of events; M≥1M \ge 1M≥1 is a natural number and 1/M1/M1/M is (M : ℝ)⁻¹.
  • Correction of the printed statement. Theorem 6.1 and Table I print the threshold 12ϵ−2n−2rank2(A)ln⁡(2/δ)κf2(A)\tfrac12\epsilon^{-2}n^{-2}\mathrm{rank}^2(A)\ln(2/\delta)\kappa_f^2(A)21​ϵ−2n−2rank2(A)ln(2/δ)κf2​(A). The last display of the proof gives ln⁡(2/δ) n2κf2(A)/(2 rank2(A)ϵ2)\ln(2/\delta)\,n^2\kappa_f^2(A)/(2\,\mathrm{rank}^2(A)\epsilon^2)ln(2/δ)n2κf2​(A)/(2rank2(A)ϵ2), with the exponents of nnn and rank(A)\mathrm{rank}(A)rank(A) swapped. The printed version is false: for n=2n=2n=2, A=e1e1TA=e_1e_1^TA=e1​e1T​, z=2 ekz=\sqrt2\,e_kz=2​ek​ with kkk uniform and ϵ=δ=1/2\epsilon=\delta=1/2ϵ=δ=1/2 it admits M=1M=1M=1, while R1∈{0,2}R_1\in\{0,2\}R1​∈{0,2}. The goal states the proof's threshold.
  • Indexing slip. The proof writes 0=λ1=⋯=λk0=\lambda_1=\cdots=\lambda_k0=λ1​=⋯=λk​ with k=n−rank(A)+1k=n-\mathrm{rank}(A)+1k=n−rank(A)+1 and κf(A)=λn/λk\kappa_f(A)=\lambda_n/\lambda_kκf​(A)=λn​/λk​, which would make λk=0\lambda_k=0λk​=0; milestone 1 states the inequality with κf\kappa_fκf​ as defined, not the indexing.
  • Non-trivialization. The hypotheses of the class are satisfiable (by the unit vector and Hutchinson estimators), A≠0A\ne0A=0 excludes the degenerate κf(0)\kappa_f(0)κf​(0), and all divisions in the statements have positive denominators, so no statement holds vacuously or through a junk value.
  • Reusable parts. A proof of milestone 2 is a general Rayleigh-quotient bound for symmetric matrices; milestone 3 is a two-sided Hoeffding bound for independent, almost surely bounded, non-identically distributed summands, useful well beyond this mission. Contributions welcome: proofs of any milestone, and a sorry-free instance showing a concrete estimator (e.g. n ek\sqrt n\,e_kn​ek​) satisfies IsNormalizedRayleighSample.

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 19(2), 433–450, 1990. https://doi.org/10.1080/03610919008812866
  • W. Hoeffding, Probability inequalities for sums of bounded random variables, Journal of the American Statistical Association 58(301), 13–30, 1963. https://doi.org/10.1080/01621459.1963.10500830
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Linear algebraOptimizationTheoretical Computer Science·Captain: mikedeng1

Sparse Approximate Solutions to Linear Systems 1: The Column Bound for Greedy SelectionResearch Paper

Motivation

Many problems in scientific computing and statistics ask for a solution of a linear system Ax≈bAx\approx bAx≈b that uses as few unknowns as possible. In statistics this is subset selection (Golub and Van Loan, Matrix Computations, 1983). In coding theory over binary matrices it is the minimum weight solution problem (Gallager, 1968). Natarajan's own motivation was radial basis interpolation (Hardy, 1988). There the coefficients of the interpolant solve a square nonsingular linear system (Michelli, 1986). Few nonzero coefficients make the interpolant cheap to evaluate and, by Occam's razor, less prone to fitting noise.

Natarajan's paper (SIAM J. Comput. 24 (1995) 227–234) makes two contributions. First, finding the sparsest approximate solution over the reals is NP-hard (Theorem 1, the subject of the companion mission). Second, the obvious greedy heuristic, a QR factorization whose column pivots are chosen by their correlation with the right-hand side, is provably good (Theorem 2). This mission formalizes Theorem 2. The greedy method is known today as orthogonal least squares (OLS), a variant of orthogonal matching pursuit. Natarajan's bound is among the earliest worst-case guarantees for this family of algorithms and is widely cited in the sparse approximation and compressed sensing literature.

Setting

Let A∈Rm×nA\in\mathbb R^{m\times n}A∈Rm×n have columns a1,…,ana_1,\dots,a_na1​,…,an​, let b∈Rmb\in\mathbb R^mb∈Rm and ε>0\varepsilon>0ε>0. Write ∥⋅∥2\|\cdot\|_2∥⋅∥2​ for the Euclidean norm and ∥x∥0\|x\|_0∥x∥0​ for the number of nonzero entries of xxx. The sparse approximate solution problem asks for xxx with ∥Ax−b∥2≤ε\|Ax-b\|_2\le\varepsilon∥Ax−b∥2​≤ε and ∥x∥0\|x\|_0∥x∥0​ minimal. Define

Opt⁡(δ)=min⁡{∥x∥0:∥Ax−b∥2≤δ}.\operatorname{Opt}(\delta)=\min\{\|x\|_0 : \|Ax-b\|_2\le\delta\}.Opt(δ)=min{∥x∥0​:∥Ax−b∥2​≤δ}.

Let A\mathbf AA be AAA with every column divided by its Euclidean norm. Let A+\mathbf A^+A+ be its Moore–Penrose pseudo-inverse, the unique matrix PPP with APA=A\mathbf AP\mathbf A=\mathbf AAPA=A, PAP=PP\mathbf AP=PPAP=P and AP\mathbf APAP, PAP\mathbf APA symmetric. Let ∥A+∥2\|\mathbf A^+\|_2∥A+∥2​ be its spectral norm, the ℓ2→ℓ2\ell_2\to\ell_2ℓ2​→ℓ2​ operator norm.

Algorithm Greedy keeps a working matrix A(r)A^{(r)}A(r) with columns aj(r)a^{(r)}_jaj(r)​, a working vector b(r)b^{(r)}b(r) and a set τ\tauτ of chosen indices. It starts from A(0)=AA^{(0)}=\mathbf AA(0)=A, b(0)=bb^{(0)}=bb(0)=b, τ=∅\tau=\emptysetτ=∅. While ∥b(r)∥2>ε\|b^{(r)}\|_2>\varepsilon∥b(r)∥2​>ε, it chooses an index k∉τk\notin\tauk∈/τ that maximizes ∣ak(r)Tb(r)∣|a_k^{(r)T}b^{(r)}|∣ak(r)T​b(r)∣ and replaces b(r)b^{(r)}b(r) by its projection onto the orthogonal complement of ak(r)a^{(r)}_kak(r)​. It adds kkk to τ\tauτ and replaces every column outside τ\tauτ by its normalized projection onto that complement. If every correlation aj(r)Tb(r)a_j^{(r)T}b^{(r)}aj(r)T​b(r) vanishes, the algorithm stops ("no solution exists"). A final solution phase solves the linear system Bx=b(0)−b(r)Bx=b^{(0)}-b^{(r)}Bx=b(0)−b(r) in the chosen columns BBB of AAA. The number of nonzero entries of the output is therefore at most the number ttt of selection iterations.

Formalization targets

Goal: Theorem 2, for AAA with linearly independent columns

If the columns of AAA are linearly independent and some xxx satisfies ∥Ax−b∥2≤ε/2\|Ax-b\|_2\le\varepsilon/2∥Ax−b∥2​≤ε/2, then every run of the selection phase, with any tie-breaking, performs

t≤⌈18 Opt⁡(ε/2) ∥A+∥22 ln⁡∥b∥2ε⌉t\le\Big\lceil 18\,\operatorname{Opt}(\varepsilon/2)\,\|\mathbf A^+\|_2^2\,\ln\frac{\|b\|_2}{\varepsilon}\Big\rceilt≤⌈18Opt(ε/2)∥A+∥22​lnε∥b∥2​​⌉

iterations. The paper prints the theorem without the independence hypothesis. The hypothesis is needed (see Formalization scope).

Milestones

The proof on pp. 230–233 passes through the following statements, in order:

  1. (12): some column satisfies ∣aj(r)Tb(r)∣≥∥b(r)∥22/(2N(r)∥u(r)∥2)|a_j^{(r)T}b^{(r)}|\ge\|b^{(r)}\|_2^2/(2\sqrt{N^{(r)}}\|u^{(r)}\|_2)∣aj(r)T​b(r)∣≥∥b(r)∥22​/(2N(r)​∥u(r)∥2​). Here u(r)u^{(r)}u(r) is a sparsest vector with ∥A(r)u(r)−b(r)∥2≤ε/2\|A^{(r)}u^{(r)}-b^{(r)}\|_2\le\varepsilon/2∥A(r)u(r)−b(r)∥2​≤ε/2 and N(r)=∥u(r)∥0N^{(r)}=\|u^{(r)}\|_0N(r)=∥u(r)∥0​.
  2. (18): ∥b(r+1)∥22≤(1−1/ρ)∥b(r)∥22\|b^{(r+1)}\|_2^2\le(1-1/\rho)\|b^{(r)}\|_2^2∥b(r+1)∥22​≤(1−1/ρ)∥b(r)∥22​ whenever ρ≥4N(r)∥u(r)∥22/∥b(r)∥22\rho\ge 4N^{(r)}\|u^{(r)}\|_2^2/\|b^{(r)}\|_2^2ρ≥4N(r)∥u(r)∥22​/∥b(r)∥22​.
  3. Lemma 1: t≤⌈2ρln⁡(∥b∥2/ε)⌉t\le\lceil2\rho\ln(\|b\|_2/\varepsilon)\rceilt≤⌈2ρln(∥b∥2​/ε)⌉ for any such ρ\rhoρ valid at every iteration.
  4. Lemma 3: N(r+1)≤N(r)≤N(0)N^{(r+1)}\le N^{(r)}\le N^{(0)}N(r+1)≤N(r)≤N(0).
  5. N(0)=Opt⁡(ε/2)N^{(0)}=\operatorname{Opt}(\varepsilon/2)N(0)=Opt(ε/2).
  6. The columns of A\mathbf AA indexed by the support σ\sigmaσ of u(r)u^{(r)}u(r) and by the chosen set τ\tauτ are linearly independent, and σ∩τ=∅\sigma\cap\tau=\emptysetσ∩τ=∅.
  7. (31): ∥u(r)∥2≤32∥Z+∥2∥b(r)∥2\|u^{(r)}\|_2\le\frac32\|Z^+\|_2\|b^{(r)}\|_2∥u(r)∥2​≤23​∥Z+∥2​∥b(r)∥2​ for the matrix ZZZ of those columns.
  8. The singular-value comparison ∥Z+∥2≤∥M+∥2\|Z^+\|_2\le\|M^+\|_2∥Z+∥2​≤∥M+∥2​ for a column submatrix ZZZ of a matrix MMM with independent columns.
  9. Lemma 2: ∥u(r)∥2≤32∥A+∥2∥b(r)∥2\|u^{(r)}\|_2\le\frac32\|\mathbf A^+\|_2\|b^{(r)}\|_2∥u(r)∥2​≤23​∥A+∥2​∥b(r)∥2​, for AAA with independent columns.

Items 1–7 hold for every matrix AAA. Items 8, 9 and the goal carry the independence hypothesis.

Significance

Theorem 2 is a bicriteria approximation guarantee for an NP-hard problem. The greedy output meets the error ε\varepsilonε with at most a factor 18∥A+∥22ln⁡(∥b∥2/ε)18\|\mathbf A^+\|_2^2\ln(\|b\|_2/\varepsilon)18∥A+∥22​ln(∥b∥2​/ε) more nonzeros than the best solution at error ε/2\varepsilon/2ε/2. The factor depends only on the conditioning of the normalized matrix and logarithmically on the required accuracy. Its structure follows Johnson's analysis of the greedy set cover algorithm (1974): a potential decreases by a constant factor per step, which gives a logarithmic number of steps. The intermediate facts (12), (18) and Lemma 1 are the template of many later analyses of matching pursuit and OLS.

The result is proved on paper, with a gap. The last step of the proof of Lemma 2 compares singular values of a submatrix with those of A\mathbf AA, and this comparison holds only when A\mathbf AA has full column rank. For general AAA, Theorem 2 and Lemma 2 are false as printed. The formalization produces a machine-checked proof of the corrected theorem and pins down exactly where the hypothesis enters. The hypothesis-free statements (12), (18), Lemma 1, Lemma 3 and (31) form reusable infrastructure for greedy sparse approximation. No existing formalization of this algorithm or of its guarantee, in Lean or elsewhere, was found for this mission.

Difficulty

Each step of the proof is short, but the objects are defined by an iteration. The columns aj(r)a^{(r)}_jaj(r)​ are repeatedly projected and renormalized, and the columns already chosen are left untouched. Every claim about iteration rrr therefore needs invariants: chosen columns are orthonormal and orthogonal to b(r)b^{(r)}b(r), and the remaining columns are normalized projections of the original ones onto the orthogonal complement of the chosen ones. A proof has to establish these by induction before any lemma can be applied. The sparsest vector u(r)u^{(r)}u(r) is defined by minimality, so Lemma 3 and the linear-independence claim are exchange arguments on supports rather than computations. Finally, the passage from (31) to Lemma 2 needs a quantitative fact about pseudo-inverses of column submatrices. Mathlib has neither the Moore–Penrose inverse of a rectangular matrix nor its norm as a reciprocal singular value.

A naive attempt to bound ∥u(r)∥2\|u^{(r)}\|_2∥u(r)∥2​ directly by ∥A+∥2∥A(r)u(r)∥2\|\mathbf A^+\|_2\|A^{(r)}u^{(r)}\|_2∥A+∥2​∥A(r)u(r)∥2​ fails: u(r)u^{(r)}u(r) multiplies the projected columns A(r)A^{(r)}A(r), not A\mathbf AA, and different sparsest solutions can have different norms.

Formalization scope

Vectors live in EuclideanSpace ℝ (Fin m), so every ∥⋅∥2\|\cdot\|_2∥⋅∥2​ is the Euclidean norm. The only ∥⋅∥∞\|\cdot\|_\infty∥⋅∥∞​ is the maximum of ∣aj(r)Tb(r)∣|a_j^{(r)T}b^{(r)}|∣aj(r)T​b(r)∣, which is written out explicitly. The algorithm is a recursion greedyState A b k r in the sequence of choices k : ℕ → Fin n. A run of ttt iterations (IsGreedyRun) requires, at each r<tr<tr<t: the strict while-condition ∥b(r)∥2>ε\|b^{(r)}\|_2>\varepsilon∥b(r)∥2​>ε, an unchosen index, a nonzero correlation, and maximality over the unchosen columns. The residual and the columns are computed, never assumed. Normalization sends 000 to 000, so a column lying in the span of the chosen ones stays zero and is never chosen. Opt⁡\operatorname{Opt}Opt is an infimum over ℕ, and the goal assumes that some xxx has ∥Ax−b∥2≤ε/2\|Ax-b\|_2\le\varepsilon/2∥Ax−b∥2​≤ε/2, since otherwise the infimum would be 000. The ceiling is the natural-number ceiling. It agrees with the printed one whenever the loop runs at least once, because then ∥b∥2>ε\|b\|_2>\varepsilon∥b∥2​>ε. The pseudo-inverse is any matrix satisfying the four Penrose equations. It is never defined as (ATA)−1AT(\mathbf A^T\mathbf A)^{-1}\mathbf A^T(ATA)−1AT, which would hide the rank assumption.

Added hypothesis. The goal, Lemma 2 and the singular-value step assume that the columns of AAA are linearly independent, which forces n≤mn\le mn≤m. Without it, Theorem 2 fails. Take m=2m=2m=2, n=200n=200n=200, columns (cos⁡θj,sin⁡θj)(\cos\theta_j,\sin\theta_j)(cosθj​,sinθj​) and (sin⁡θj,cos⁡θj)(\sin\theta_j,\cos\theta_j)(sinθj​,cosθj​) for 100 distinct θj∈[0.001,0.01]\theta_j\in[0.001,0.01]θj​∈[0.001,0.01], b=2(1,1)b=\sqrt2(1,1)b=2​(1,1) and ε=1\varepsilon=1ε=1. Then Opt⁡(1/2)=2\operatorname{Opt}(1/2)=2Opt(1/2)=2 and the bound evaluates to 111, but Greedy selects two columns. Lemma 2 fails for A=[e1,e2,(e1+e2)/2]\mathbf A=[e_1,e_2,(e_1+e_2)/\sqrt2]A=[e1​,e2​,(e1​+e2​)/2​] and b=β(−1,1)/2b=\beta(-1,1)/\sqrt2b=β(−1,1)/2​. The paper's motivating interpolation systems are square and nonsingular, so they satisfy the hypothesis. A hypothesis-free goal would replace ∥A+∥2\|\mathbf A^+\|_2∥A+∥2​ by the largest ∥Z+∥2\|Z^+\|_2∥Z+∥2​ over linearly independent column subsets ZZZ of A\mathbf AA, which is what (31) gives. That quantity is not printed in the paper, so it is not the goal here.

A statement in which the iterates are free sequences constrained by hypotheses, the greedy choice is dropped, or Opt⁡\operatorname{Opt}Opt is taken over an empty set would be trivially true or would not describe this algorithm. The encoding above rules these out.

A complete development needs Gram–Schmidt-type invariants of the iteration, exchange arguments for sparsest solutions, and the Moore–Penrose inverse with its spectral norm. The last of these is reusable well beyond this mission. Contributions of any milestone, of the general Penrose-inverse facts, or of alternative proofs are welcome.

Selected references

  • B. K. Natarajan, Sparse Approximate Solutions to Linear Systems, SIAM J. Comput. 24(2):227–234, 1995. https://doi.org/10.1137/s0097539792240406
  • G. H. Golub and C. F. Van Loan, Matrix Computations, Johns Hopkins University Press, 1983.
  • D. S. Johnson, Approximation algorithms for combinatorial problems, J. Comput. System Sci. 9:256–278, 1974. https://doi.org/10.1016/S0022-0000(74)80044-9
  • R. Penrose, A generalized inverse for matrices, Proc. Cambridge Philos. Soc. 51:406–413, 1955. https://doi.org/10.1017/S0305004100030401
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Robust Solutions to Least-Squares Problems with Uncertain Data II: Robust Least Squares as Tikhonov RegularizationResearch Paper

Motivation

Least squares fits a linear model Ax≃bAx \simeq bAx≃b by minimizing ∥Ax−b∥\|Ax - b\|∥Ax−b∥, and its solution can be extremely sensitive to errors in the data (A,b)(A, b)(A,b) when AAA is ill-conditioned. The standard remedy is Tikhonov regularization (ridge regression): minimize ∥Ax−b∥2+μ∥x∥2\|Ax - b\|^2 + \mu\|x\|^2∥Ax−b∥2+μ∥x∥2, whose solution x=(A⊤A+μI)−1A⊤bx = (A^\top A + \mu I)^{-1}A^\top bx=(A⊤A+μI)−1A⊤b is stable but depends on a parameter μ>0\mu > 0μ>0 that must be chosen by some external rule.

El Ghaoui and Lebret (SIAM J. Matrix Anal. Appl. 18(4), 1997) proposed instead to take the uncertainty in (A,b)(A, b)(A,b) seriously: the robust least-squares (RLS) solution minimizes the worst-case residual over all perturbations [ΔA Δb][\Delta A\ \Delta b][ΔA Δb] of Frobenius norm at most ρ\rhoρ. Their Theorem 3.1 shows that for ρ=1\rho = 1ρ=1 this worst-case residual equals ∥Ax−b∥+∥x∥2+1\|Ax - b\| + \sqrt{\|x\|^2 + 1}∥Ax−b∥+∥x∥2+1​ and that its minimization is the second-order cone program (15). Theorem 3.2, the subject of this mission, reads off the optimal solution: it is a Tikhonov-regularized solution, and the regularization parameter is not a free choice but is fixed by the data. This gives a principled answer to the question of how to choose μ\muμ, and it is the reason the paper describes RLS as "a Tikhonov regularization procedure" with "a rigorous way to compute the regularization parameter" (abstract, p. 1035).

A closely related model for least squares with bounded data uncertainty was developed at the same time by Chandrasekaran, Golub, Gu and Sayed; the paper notes that their preliminary draft (its reference [5]) gives a solution to the unstructured RLS problem similar to that of §3.2 (pp. 1036–1037).

Setting

Throughout, A∈Rn×mA \in \mathbb R^{n\times m}A∈Rn×m, b∈Rnb \in \mathbb R^nb∈Rn, x∈Rmx \in \mathbb R^mx∈Rm, and every vector norm is Euclidean, ∥v∥=∑ivi2\|v\| = \sqrt{\sum_i v_i^2}∥v∥=∑i​vi2​​. For x∈Rmx \in \mathbb R^mx∈Rm, [x;1]∈Rm+1[x; 1] \in \mathbb R^{m+1}[x;1]∈Rm+1 is xxx with a coordinate 111 appended, so ∥[x;1]∥=∥x∥2+1\|[x;1]\| = \sqrt{\|x\|^2 + 1}∥[x;1]∥=∥x∥2+1​.

The SOCP (15) is the problem, in the variables x∈Rmx \in \mathbb R^mx∈Rm and λ,τ∈R\lambda, \tau \in \mathbb Rλ,τ∈R,

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

A triple (x,λ,τ)(x, \lambda, \tau)(x,λ,τ) is optimal for (15) if it is feasible and λ≤λ′\lambda \le \lambda'λ≤λ′ for every feasible (x′,λ′,τ′)(x', \lambda', \tau')(x′,λ′,τ′). Its dual, derived in the paper from the general second-order cone duality of §2.1, is the problem in z∈Rnz \in \mathbb R^nz∈Rn, u∈Rmu \in \mathbb R^mu∈Rm, v∈Rv \in \mathbb Rv∈R

maximize b⊤z−vsubject toA⊤z+u=0,∥z∥≤1,∥[u;v]∥≤1.\text{maximize } b^\top z - v \quad\text{subject to}\quad A^\top z + u = 0,\quad \|z\| \le 1,\quad \|[u; v]\| \le 1.maximize b⊤z−vsubject toA⊤z+u=0,∥z∥≤1,∥[u;v]∥≤1.

The minimum-norm solution of Ax=bAx = bAx=b is a solution xxx with ∥x∥≤∥y∥\|x\| \le \|y\|∥x∥≤∥y∥ for every other solution yyy; when Ax=bAx = bAx=b is consistent it is A†bA^\dagger bA†b, with A†A^\daggerA† the Moore–Penrose pseudoinverse.

In the Lean development these objects are IsSOCPFeasible, IsSOCPOptimal, IsDualFeasible, dualObjective, IsDualOptimal and IsMinNormSolution, in the namespace RobustLS.Tikhonov, with the Euclidean norm eucNorm.

Formalization targets

Goal: Theorem 3.2 with the identity for μ\muμ

Let (x,λ,τ)(x, \lambda, \tau)(x,λ,τ) be optimal for (15) and set μ=(λ−τ)/τ\mu = (\lambda - \tau)/\tauμ=(λ−τ)/τ. Then

x={(μI+A⊤A)−1A⊤bif μ>0,A†belse,andμ=∥Ax−b∥∥x∥2+1.x = \begin{cases} (\mu I + A^\top A)^{-1}A^\top b & \text{if } \mu > 0,\\ A^\dagger b & \text{else,}\end{cases}\qquad\text{and}\qquad \mu = \frac{\|Ax - b\|}{\sqrt{\|x\|^2 + 1}}.x={(μI+A⊤A)−1A⊤bA†b​if μ>0,else,​andμ=∥x∥2+1​∥Ax−b∥​.

By Theorem 3.1 (the subject of the companion mission I of this series), the xxx-part of an optimal point of (15) is the RLS solution for ρ=1\rho = 1ρ=1, so this is formula (17) of the paper. The identity for μ\muμ is the final display of the paper's proof and is the claim in the mission's title.

Milestones (in the order of the paper's proof, p. 1041)

  1. Both (15) and its dual have optimal points.
  2. If λ=τ\lambda = \tauλ=τ at the optimum, then Ax=bAx = bAx=b and λ=τ=∥x∥2+1\lambda = \tau = \sqrt{\|x\|^2 + 1}λ=τ=∥x∥2+1​.
  3. In that case xxx is the minimum-norm solution of Ax=bAx = bAx=b, x=A†bx = A^\dagger bx=A†b.
  4. Eq. (18): for λ>τ\lambda > \tauλ>τ, primal and dual optimal values coincide,
∥Ax−b∥+∥[x;1]∥=λ=b⊤z−v=−(Ax−b)⊤z−[x⊤ 1][−A⊤zv].\|Ax - b\| + \|[x;1]\| = \lambda = b^\top z - v = -(Ax-b)^\top z - [x^\top\ 1]\begin{bmatrix} -A^\top z\\ v\end{bmatrix}.∥Ax−b∥+∥[x;1]∥=λ=b⊤z−v=−(Ax−b)⊤z−[x⊤ 1][−A⊤zv​].
  1. The dual optimal point is z=−(Ax−b)/∥Ax−b∥z = -(Ax - b)/\|Ax - b\|z=−(Ax−b)/∥Ax−b∥, [u;v]=−[x;1]/∥x∥2+1[u; v] = -[x; 1]/\sqrt{\|x\|^2 + 1}[u;v]=−[x;1]/∥x∥2+1​.
  2. Substituting into A⊤z+u=0A^\top z + u = 0A⊤z+u=0: x=(A⊤A+μI)−1A⊤bx = (A^\top A + \mu I)^{-1}A^\top bx=(A⊤A+μI)−1A⊤b with μ=(λ−τ)/τ=∥Ax−b∥/∥x∥2+1\mu = (\lambda - \tau)/\tau = \|Ax - b\|/\sqrt{\|x\|^2 + 1}μ=(λ−τ)/τ=∥Ax−b∥/∥x∥2+1​.

A further item states Remark 3.1: for λ>τ\lambda > \tauλ>τ, xxx is the unique minimizer of the weighted residual ∥[A;I;0]y−[b;0;1]∥Θ\big\|[A; I; 0]y - [b; 0; 1]\big\|_\Theta​[A;I;0]y−[b;0;1]​Θ​ with Θ=diag((λ−τ)I,τI,τ)\Theta = \mathbf{diag}((\lambda-\tau)I, \tau I, \tau)Θ=diag((λ−τ)I,τI,τ) and ∥r∥Θ=∥Θ−1/2r∥\|r\|_\Theta = \|\Theta^{-1/2} r\|∥r∥Θ​=∥Θ−1/2r∥.

Significance

The result. Theorem 3.2 turns a robust optimization problem into a familiar linear-algebra object. It says that the robust solution always lies on the Tikhonov path {(A⊤A+μI)−1A⊤b:μ>0}\{(A^\top A + \mu I)^{-1}A^\top b : \mu > 0\}{(A⊤A+μI)−1A⊤b:μ>0} or at its endpoint A†bA^\dagger bA†b, and it identifies the point on the path through a fixed-point equation relating μ\muμ to the residual and the size of the solution. The paper builds on this in §3.3 (a one-dimensional search for μ\muμ via the SVD) and in §6 (continuity of the RLS solution in the data), and Remark 3.1 is the template for the weighted least-squares interpretation of the structured and linear-fractional problems in §5.

Formalizing it. The theorem is proved in the paper; to our knowledge it has no machine-checked proof. The mission produces a formal account of second-order cone duality for a concrete program, the characterization of the optimal dual point by equality in the Cauchy–Schwarz inequality, and the minimum-norm characterization of A†bA^\dagger bA†b, all in terms of explicit Euclidean norms on Fin k → ℝ.

Difficulty

The paper's proof rests on strong duality for (15) ("both primal and dual problems are strictly feasible"), which it cites from the SOCP literature rather than proving; Mathlib has no second-order cone duality, so this step is the main gap. The degenerate case λ=τ\lambda = \tauλ=τ also needs care: there ∥Ax−b∥=0\|Ax - b\| = 0∥Ax−b∥=0, the residual term is not differentiable at the optimum, and the conclusion changes from a regularized inverse to a pseudoinverse. A statement that only handles the case Ax≠bAx \ne bAx=b, or that assumes the matrix A⊤A+μIA^\top A + \mu IA⊤A+μI invertible without deriving it from μ>0\mu > 0μ>0, misses part of the theorem.

Formalization scope

  • Normalization. The paper states Theorem 3.2 for ρ=1\rho = 1ρ=1 ("we take ρ=1\rho = 1ρ=1 in what follows", p. 1039) and obtains general ρ\rhoρ by the scaling φ(A,b,ρ)=ρ φ(A/ρ,b/ρ,1)\varphi(A, b, \rho) = \rho\,\varphi(A/\rho, b/\rho, 1)φ(A,b,ρ)=ρφ(A/ρ,b/ρ,1). Only the ρ=1\rho = 1ρ=1 statement is formalized.
  • The RLS solution. The perturbation model is not used here: all statements are about optimal points of (15). That the xxx-part of such a point is the RLS solution is Theorem 3.1 (mission I), and it is recalled in prose only.
  • Norms. Vectors are Fin k → ℝ; the Euclidean norm is the explicit eucNorm v = √(∑ vᵢ²) (Mathlib's ‖·‖ on Fin k → ℝ is the sup norm). Stacked vectors [x;1][x;1][x;1] and [u;v][u;v][u;v] are indexed by Fin m ⊕ Unit.
  • Optimality. "Optimal point" means feasible with objective no worse than every feasible point; the minimum and maximum are therefore attained by definition, and milestone 1 guarantees they exist.
  • Pseudoinverse. Mathlib has no matrix pseudoinverse, so A†bA^\dagger bA†b is stated as the minimum-norm solution of Ax=bAx = bAx=b, which is how the proof uses it. The branch "else" is ¬(μ>0)\neg(\mu > 0)¬(μ>0).
  • Inverse. (μI+A⊤A)−1(\mu I + A^\top A)^{-1}(μI+A⊤A)−1 is Mathlib's Matrix.inv; it is used only where μ>0\mu > 0μ>0, where the matrix is positive definite. τ≥1\tau \ge 1τ≥1 at every feasible point, so μ\muμ is well defined without an extra hypothesis.
  • No trivialization. The goal quantifies over optimal points of (15) over the whole feasible set, not over feasible points, and milestone 1 shows the hypothesis is satisfiable for every (A,b)(A, b)(A,b), including n=0n = 0n=0 or m=0m = 0m=0.
  • Weighted norm. For Remark 3.1, ∥r∥Θ\|r\|_\Theta∥r∥Θ​ for the diagonal Θ\ThetaΘ is written as ∑iri2/θi\sqrt{\sum_i r_i^2/\theta_i}∑i​ri2​/θi​​, which equals ∥Θ−1/2r∥\|\Theta^{-1/2}r\|∥Θ−1/2r∥ for positive weights.

Contributions welcome: second-order cone (or general conic) weak and strong duality for finite-dimensional programs, the equality case of Cauchy–Schwarz in the explicit-norm form used here, and a Moore–Penrose pseudoinverse for real matrices with its minimum-norm property. The platform's ConvexOptimization.conic_slater_strong_duality may help with the duality step.

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. Chandrasekaran, G. H. Golub, M. Gu and A. H. Sayed, A new linear least-squares type model for parameter estimation in the presence of data uncertainties, cited as submitted to SIAM J. Matrix Anal. Appl. (reference [5] of the paper).
  • A. N. Tikhonov and V. Y. Arsenin, Solutions of Ill-Posed Problems, Wiley, New York, 1977 (reference [43] of the paper).
  • Y. Nesterov and A. Nemirovskii, Interior-Point Polynomial Algorithms in Convex Programming, SIAM, 1994. https://doi.org/10.1137/1.9781611970791
  • M. S. Lobo, L. Vandenberghe, S. Boyd and H. Lebret, Applications of Second-Order Cone Programming, Linear Algebra Appl. 284:193–228, 1998. https://doi.org/10.1016/S0024-3795(98)10032-0
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A Singular Value Thresholding Algorithm for Matrix Completion 2: Convergence of the SVT Iteration under General Convex ConstraintsResearch Paper

Motivation

Singular value thresholding (SVT) is a first-order method introduced by Cai, Candès and Shen (SIAM J. Optim. 20 (2010)) for recovering a low-rank matrix from incomplete or indirect information. Its basic form, for matrix completion, alternates a soft-thresholding of singular values with a gradient step on a dual variable, and needs only one sparse singular value decomposition per iteration. That is what made nuclear-norm heuristics usable on matrices with tens of thousands of rows and columns, where interior-point methods for the equivalent semidefinite program do not fit in memory.

Matrix completion is only one constraint set. In applications the data are noisy linear measurements b=A(M)+zb = \mathcal A(M) + zb=A(M)+z, and the constraint takes the form of componentwise error bounds or norm balls around the data (§3.3 of the paper). Section 3.2 of the paper extends the method to a general finite family of convex constraints, and §4.2 proves that the extended iteration converges. This mission formalizes that extension and its convergence theorem, Theorem 4.4.

Setting

Let n1,n2,mn_1, n_2, mn1​,n2​,m be natural numbers and Rn1×n2\mathbb R^{n_1\times n_2}Rn1​×n2​ the real n1×n2n_1\times n_2n1​×n2​ matrices, with the Frobenius inner product ⟨X,Y⟩=∑i,jXijYij\langle X, Y\rangle = \sum_{i,j} X_{ij}Y_{ij}⟨X,Y⟩=∑i,j​Xij​Yij​ and norm ∥X∥F=⟨X,X⟩\|X\|_F = \sqrt{\langle X, X\rangle}∥X∥F​=⟨X,X⟩​. The nuclear norm ∥X∥∗\|X\|_*∥X∥∗​ is the sum of the singular values of XXX. For a fixed τ>0\tau > 0τ>0 the objective is

fτ(X)=τ∥X∥∗+12∥X∥F2.f_\tau(X) = \tau\|X\|_* + \tfrac12\|X\|_F^2 .fτ​(X)=τ∥X∥∗​+21​∥X∥F2​.

A matrix ZZZ is a subgradient of a function ggg at X0X_0X0​, written Z∈∂g(X0)Z\in\partial g(X_0)Z∈∂g(X0​), if g(X)≥g(X0)+⟨Z,X−X0⟩g(X)\ge g(X_0) + \langle Z, X - X_0\rangleg(X)≥g(X0​)+⟨Z,X−X0​⟩ for all XXX.

Let f1,…,fm:Rn1×n2→Rf_1,\dots,f_m:\mathbb R^{n_1\times n_2}\to\mathbb Rf1​,…,fm​:Rn1​×n2​→R be convex and put F(X)=(f1(X),…,fm(X))∈Rm\mathcal F(X) = (f_1(X),\dots,f_m(X))\in\mathbb R^mF(X)=(f1​(X),…,fm​(X))∈Rm. On Rm\mathbb R^mRm, ⟨u,v⟩=∑iuivi\langle u, v\rangle = \sum_i u_iv_i⟨u,v⟩=∑i​ui​vi​ and ∥v∥\|v\|∥v∥ is the Euclidean norm. The constrained problem is

(3.4)minimize fτ(X)subject to fi(X)≤0, i=1,…,m,\text{(3.4)}\qquad \text{minimize } f_\tau(X)\quad\text{subject to } f_i(X)\le 0,\ i=1,\dots,m,(3.4)minimize fτ​(X)subject to fi​(X)≤0, i=1,…,m,

with Lagrangian L(X,y)=fτ(X)+⟨y,F(X)⟩\mathcal L(X, y) = f_\tau(X) + \langle y, \mathcal F(X)\rangleL(X,y)=fτ​(X)+⟨y,F(X)⟩ for y≥0y\ge 0y≥0. A pair (X⋆,y⋆)(X^\star, y^\star)(X⋆,y⋆) with y⋆≥0y^\star\ge0y⋆≥0 is primal-dual optimal if it is a saddle point:

L(X⋆,y)≤L(X⋆,y⋆)≤L(X,y⋆)for all y≥0, X.\mathcal L(X^\star, y)\le \mathcal L(X^\star, y^\star)\le \mathcal L(X, y^\star)\qquad\text{for all } y\ge 0,\ X .L(X⋆,y)≤L(X⋆,y⋆)≤L(X,y⋆)for all y≥0, X.

The paper's standing assumption "strong duality holds" is the existence of such a pair.

The iteration (3.5) starts from y0=0y^0 = 0y0=0 and, for step sizes δk\delta_kδk​, sets for k=1,2,…k = 1, 2, \dotsk=1,2,…

Xk=arg⁡min⁡X{fτ(X)+⟨yk−1,F(X)⟩},yk=[ yk−1+δkF(Xk) ]+,X^k = \arg\min_X\{f_\tau(X) + \langle y^{k-1}, \mathcal F(X)\rangle\},\qquad y^k = [\,y^{k-1} + \delta_k\mathcal F(X^k)\,]_+ ,Xk=argXmin​{fτ​(X)+⟨yk−1,F(X)⟩},yk=[yk−1+δk​F(Xk)]+​,

where x+x_+x+​ has entries max⁡(xi,0)\max(x_i, 0)max(xi​,0). It is Uzawa's method for (3.4): an exact minimization in the primal variable followed by a projected ascent step on the dual. When F(X)=b−A(X)\mathcal F(X) = b - \mathcal A(X)F(X)=b−A(X) is affine, the minimization is a singular value thresholding step, which gives the algorithm its name.

The analysis of §4.2 assumes F\mathcal FF is Lipschitz in the sense

(4.2)∥F(X)−F(Y)∥≤L ∥X−Y∥Ffor all X,Y,\text{(4.2)}\qquad \|\mathcal F(X) - \mathcal F(Y)\|\le L\,\|X - Y\|_F\quad\text{for all } X, Y,(4.2)∥F(X)−F(Y)∥≤L∥X−Y∥F​for all X,Y,

for a constant L≥0L\ge 0L≥0.

Formalization targets

Goal: Theorem 4.4 (p. 1969)

If 0<inf⁡kδk≤sup⁡kδk<2/L20 < \inf_k\delta_k\le\sup_k\delta_k < 2/L^20<infk​δk​≤supk​δk​<2/L2 and strong duality holds, then the sequence XkX^kXk of (3.5) converges to the unique solution of (3.4):

∃! X⋆ solving (3.4),lim⁡k→∞Xk=X⋆.\exists!\,X^\star\ \text{solving (3.4)},\qquad \lim_{k\to\infty} X^k = X^\star .∃!X⋆ solving (3.4),k→∞lim​Xk=X⋆.

Milestones, in the order the proof uses them

  • Lemma 4.1 (p. 1968): ⟨Z−Z′,X−X′⟩≥∥X−X′∥F2\langle Z - Z', X - X'\rangle\ge\|X - X'\|_F^2⟨Z−Z′,X−X′⟩≥∥X−X′∥F2​ for Z∈∂fτ(X)Z\in\partial f_\tau(X)Z∈∂fτ​(X), Z′∈∂fτ(X′)Z'\in\partial f_\tau(X')Z′∈∂fτ​(X′).
  • Lemma 4.3 (p. 1969): for a primal-dual optimal pair and each δ>0\delta > 0δ>0, y⋆=[y⋆+δF(X⋆)]+y^\star = [y^\star + \delta\mathcal F(X^\star)]_+y⋆=[y⋆+δF(X⋆)]+​.
  • Eq. (4.4) (p. 1969): there are Zk∈∂fτ(Xk)Z^k\in\partial f_\tau(X^k)Zk∈∂fτ​(Xk) and Z⋆∈∂fτ(X⋆)Z^\star\in\partial f_\tau(X^\star)Z⋆∈∂fτ​(X⋆) with ⟨Zk,X−Xk⟩+⟨yk−1,F(X)−F(Xk)⟩≥0\langle Z^k, X - X^k\rangle + \langle y^{k-1}, \mathcal F(X) - \mathcal F(X^k)\rangle\ge 0⟨Zk,X−Xk⟩+⟨yk−1,F(X)−F(Xk)⟩≥0 and ⟨Z⋆,X−X⋆⟩+⟨y⋆,F(X)−F(X⋆)⟩≥0\langle Z^\star, X - X^\star\rangle + \langle y^\star, \mathcal F(X) - \mathcal F(X^\star)\rangle\ge 0⟨Z⋆,X−X⋆⟩+⟨y⋆,F(X)−F(X⋆)⟩≥0 for all XXX.
  • Eq. (4.5) (p. 1969): ⟨yk−1−y⋆,F(Xk)−F(X⋆)⟩≤−∥Xk−X⋆∥F2\langle y^{k-1} - y^\star, \mathcal F(X^k) - \mathcal F(X^\star)\rangle\le -\|X^k - X^\star\|_F^2⟨yk−1−y⋆,F(Xk)−F(X⋆)⟩≤−∥Xk−X⋆∥F2​.
  • Contraction step (p. 1969): ∥yk−y⋆∥≤∥yk−1−y⋆+δk(F(Xk)−F(X⋆))∥\|y^k - y^\star\|\le\|y^{k-1} - y^\star + \delta_k(\mathcal F(X^k) - \mathcal F(X^\star))\|∥yk−y⋆∥≤∥yk−1−y⋆+δk​(F(Xk)−F(X⋆))∥.
  • Eq. (4.6) (p. 1970): if 2δk−δk2L2≥β>02\delta_k - \delta_k^2L^2\ge\beta > 02δk​−δk2​L2≥β>0 for k≥1k\ge1k≥1, then ∥yk−y⋆∥2≤∥yk−1−y⋆∥2−β∥Xk−X⋆∥F2\|y^k - y^\star\|^2\le\|y^{k-1} - y^\star\|^2 - \beta\|X^k - X^\star\|_F^2∥yk−y⋆∥2≤∥yk−1−y⋆∥2−β∥Xk−X⋆∥F2​.

Significance

The result. Theorem 4.4 is the convergence guarantee for SVT beyond matrix completion. The componentwise error bounds of (3.8), whose SVT iteration is (3.9), are finitely many affine constraints and fall under it directly, as does any finite family of Lipschitz convex constraints, for instance a Frobenius-norm ball around the data. The conic variants of §3.3 ((3.11)–(3.13)) project the dual variable onto a cone rather than onto the nonnegative orthant and are not covered by the theorem as stated. Together with Theorem 3.1 of the same paper, which says that the solution of (3.4) tends to the minimum-nuclear-norm solution as τ→∞\tau\to\inftyτ→∞, it justifies using SVT as a solver for nuclear-norm minimization under general convex constraints.

Formalizing it. The theorem is proved in the paper, with two steps delegated to the literature: Lemma 4.3 cites [31], and the concluding step reads "the conclusion is as before". Its proof is short but relies on convex-analytic facts that are standard on paper and missing, in this form, from Mathlib: subgradients of the nuclear norm, the subdifferential sum rule for finite convex functions, and nonexpansiveness of the projection onto the nonnegative orthant. No machine-checked proof of this theorem or of Uzawa-type convergence for nuclear-norm objectives is known to exist. The mission produces a complete, checked version of the argument, including the omitted closing step.

Difficulty

The obvious approach is to view (3.5) as projected gradient ascent on the dual function g(y)=min⁡XL(X,y)g(y) = \min_X\mathcal L(X, y)g(y)=minX​L(X,y) and quote the standard convergence theorem for gradient methods with Lipschitz gradients. That does not apply directly: for general convex fif_ifi​ the dual function need not be differentiable, F(Xk)\mathcal F(X^k)F(Xk) is only a supergradient, and the Lipschitz hypothesis (4.2) is on F\mathcal FF, not on a dual gradient. The proof instead works with the primal-dual pair: it needs first-order optimality conditions (4.4), which require a subdifferential sum rule for fτ+∑iyifif_\tau + \sum_i y_i f_ifτ​+∑i​yi​fi​ with nonsmooth fif_ifi​, and it needs the strong monotonicity of ∂fτ\partial f_\tau∂fτ​ (Lemma 4.1), which depends on the description of subgradients of the nuclear norm. A second subtlety is that the theorem asserts convergence of the whole primal sequence to the unique solution, not to some solution along a subsequence, while nothing is claimed about convergence of the dual sequence.

Formalization scope

Matrices are Matrix (Fin n₁) (Fin n₂) ℝ, vectors in Rm\mathbb R^mRm are Fin m → ℝ, and convergence of matrices is in Mathlib's product topology, which coincides with the Frobenius topology. The nuclear norm is the sum of Mathlib's LinearMap.singularValues of the matrix viewed as a map between Euclidean spaces. Each fif_ifi​ is a real-valued function with ConvexOn ℝ Set.univ. The iteration is a predicate on sequences indexed by ℕ: the paper's step kkk produces X (k+1) and y (k+1) from y k with step size δ (k+1), and y 0 = 0. XkX^kXk is required to minimize L(⋅,yk−1)\mathcal L(\cdot, y^{k-1})L(⋅,yk−1); for τ>0\tau>0τ>0 and convex fif_ifi​ this minimizer exists and is unique, so the predicate is satisfiable and determines the sequence. The step-size condition is stated as a≤δk≤Ca\le\delta_k\le Ca≤δk​≤C for k≥1k\ge1k≥1 with a>0a>0a>0 and CL2<2C L^2 < 2CL2<2, which avoids the division 2/L22/L^22/L2 (evaluated as 000 in Lean when L=0L=0L=0); for L=0L=0L=0 it requires only bounded steps, matching the convention 2/0=∞2/0 = \infty2/0=∞. Strong duality is the hypothesis that a saddle point exists; Slater's condition is not assumed. The paper's standing assumptions (τ>0\tau>0τ>0, convex fif_ifi​, and (4.2) where LLL enters) appear as explicit hypotheses in every statement.

A formalization that assumes convergence or boundedness of the dual iterates, replaces the primal minimization by a closed-form thresholding step (valid only for affine F\mathcal FF), or states only subsequential convergence would not be this theorem; each of these is excluded by the statements above.

A complete development needs: subgradients of the nuclear norm and strong monotonicity of ∂fτ\partial f_\tau∂fτ​; existence and characterization of minimizers of strongly convex continuous functions on a finite-dimensional space; the subdifferential sum rule for finite convex functions; complementary slackness from the saddle-point inequalities; and nonexpansiveness of the entrywise positive part. These are reusable beyond this mission, especially for other Uzawa and augmented Lagrangian analyses. Contributions of any of these pieces as separate lemmas are welcome.

Selected references

  • J.-F. Cai, E. J. Candès, Z. Shen, A Singular Value Thresholding Algorithm for Matrix Completion, SIAM J. Optim. 20(4):1956–1982, 2010. https://doi.org/10.1137/080738970
  • E. J. Candès, B. Recht, Exact Matrix Completion via Convex Optimization, Found. Comput. Math. 9:717–772, 2009. https://doi.org/10.1007/s10208-009-9045-5
  • K. J. Arrow, L. Hurwicz, H. Uzawa, Studies in Linear and Nonlinear Programming, Stanford University Press, 1958.
  • S. Boyd, L. Vandenberghe, Convex Optimization, Cambridge University Press, 2004. https://doi.org/10.1017/CBO9780511804441
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Convex OptimizationLinear algebraOptimization·Captain: mikedeng1

A Singular Value Thresholding Algorithm for Matrix Completion 1: The SVT Iteration Converges to the Unique Solution of the Proximal ProblemResearch Paper

Motivation

Matrix completion asks to recover an n1×n2n_1\times n_2n1​×n2​ matrix MMM from a subset Ω\OmegaΩ of its entries. When MMM has low rank, a standard convex surrogate is to minimize the nuclear norm ∥X∥∗\|X\|_*∥X∥∗​ (the sum of the singular values) subject to agreeing with MMM on Ω\OmegaΩ; Candès and Recht showed that this recovers MMM exactly under incoherence and sampling conditions (Candès–Recht 2009). Generic interior-point solvers for this semidefinite program do not scale beyond matrices of a few hundred rows.

Cai, Candès and Shen (SIAM J. Optim. 2010) proposed the singular value thresholding (SVT) algorithm: a first-order iteration whose only nonlinear step is a soft-thresholding of singular values, and whose other iterate is a sparse matrix supported on Ω\OmegaΩ. The algorithm has become a standard baseline in low-rank matrix recovery and a model example of dual (Uzawa-type) methods for nuclear-norm problems. This mission formalizes its convergence theorem.

Setting

All matrices are real. For X,Y∈Rn1×n2X,Y\in\mathbb R^{n_1\times n_2}X,Y∈Rn1​×n2​ write ⟨X,Y⟩=trace⁡(X∗Y)=∑i,jXijYij\langle X,Y\rangle=\operatorname{trace}(X^*Y)=\sum_{i,j}X_{ij}Y_{ij}⟨X,Y⟩=trace(X∗Y)=∑i,j​Xij​Yij​ and ∥X∥F2=⟨X,X⟩\|X\|_F^2=\langle X,X\rangle∥X∥F2​=⟨X,X⟩. The nuclear norm ∥X∥∗\|X\|_*∥X∥∗​ is the sum of the singular values of XXX.

For an index set Ω\OmegaΩ, the sampling projector PΩP_\OmegaPΩ​ keeps the entries with indices in Ω\OmegaΩ and sets the others to zero.

A reduced singular value decomposition of a matrix YYY of rank rrr is Y=UΣV∗Y=U\Sigma V^*Y=UΣV∗ with UUU (n1×rn_1\times rn1​×r) and VVV (n2×rn_2\times rn2​×r) having orthonormal columns and Σ=diag⁡(σ1,…,σr)\Sigma=\operatorname{diag}(\sigma_1,\dots,\sigma_r)Σ=diag(σ1​,…,σr​) with σi>0\sigma_i>0σi​>0. For τ≥0\tau\ge0τ≥0 the singular value shrinkage operator is

Dτ(Y)=Udiag⁡((σi−τ)+)V∗,t+=max⁡(0,t).\mathcal D_\tau(Y)=U\operatorname{diag}\big((\sigma_i-\tau)_+\big)V^*,\qquad t_+=\max(0,t).Dτ​(Y)=Udiag((σi​−τ)+​)V∗,t+​=max(0,t).

Fix τ>0\tau>0τ>0, a sequence of step sizes {δk}k≥1\{\delta_k\}_{k\ge1}{δk​}k≥1​ and data MMM. The SVT iteration (2.7) starts from Y0=0Y^0=0Y0=0 and sets, for k=1,2,…k=1,2,\dotsk=1,2,…,

Xk=Dτ(Yk−1),Yk=Yk−1+δkPΩ(M−Xk).X^k=\mathcal D_\tau(Y^{k-1}),\qquad Y^k=Y^{k-1}+\delta_k P_\Omega(M-X^k).Xk=Dτ​(Yk−1),Yk=Yk−1+δk​PΩ​(M−Xk).

The proximal problem (2.8) is

minimize  fτ(X)=τ∥X∥∗+12∥X∥F2subject to  PΩ(X)=PΩ(M).\text{minimize}\ \ f_\tau(X)=\tau\|X\|_*+\tfrac12\|X\|_F^2\quad\text{subject to}\ \ P_\Omega(X)=P_\Omega(M).minimize  fτ​(X)=τ∥X∥∗​+21​∥X∥F2​subject to  PΩ​(X)=PΩ​(M).

More generally, for a linear map A:Rn1×n2→Rm\mathcal A:\mathbb R^{n_1\times n_2}\to\mathbb R^mA:Rn1​×n2​→Rm with adjoint A∗\mathcal A^*A∗ and spectral norm ∥A∥=sup⁡{∥A(X)∥ℓ2:∥X∥F=1}\|\mathcal A\|=\sup\{\|\mathcal A(X)\|_{\ell_2}:\|X\|_F=1\}∥A∥=sup{∥A(X)∥ℓ2​​:∥X∥F​=1}, and b∈Rmb\in\mathbb R^mb∈Rm, problem (3.1) is to minimize fτ(X)f_\tau(X)fτ​(X) subject to A(X)=b\mathcal A(X)=bA(X)=b, and Uzawa's iteration (3.3) starts from y0=0y^0=0y0=0 and sets Xk=Dτ(A∗(yk−1))X^k=\mathcal D_\tau(\mathcal A^*(y^{k-1}))Xk=Dτ​(A∗(yk−1)), yk=yk−1+δk(b−A(Xk))y^k=y^{k-1}+\delta_k(b-\mathcal A(X^k))yk=yk−1+δk​(b−A(Xk)).

Formalization targets

Goal: Theorem 4.2, second sentence (p. 1968)

If 0<inf⁡kδk≤sup⁡kδk<20<\inf_k\delta_k\le\sup_k\delta_k<20<infk​δk​≤supk​δk​<2, then (2.8) has a unique solution X⋆X^\starX⋆ and the SVT iterates satisfy

lim⁡k→∞Xk=X⋆.\lim_{k\to\infty}X^k=X^\star .k→∞lim​Xk=X⋆.

Theorem 4.2, first sentence (p. 1968)

If (3.1) is feasible and 0<inf⁡kδk≤sup⁡kδk<2/∥A∥20<\inf_k\delta_k\le\sup_k\delta_k<2/\|\mathcal A\|^20<infk​δk​≤supk​δk​<2/∥A∥2, then (3.1) has a unique solution and the iterates XkX^kXk of (3.3) converge to it.

Supporting results (milestones, in attack order)

  1. Well-definedness of Dτ\mathcal D_\tauDτ​ (§2.1, p. 1960): the output does not depend on the chosen SVD.
  2. Theorem 2.1 (p. 1960): Dτ(Y)=arg⁡min⁡X12∥X−Y∥F2+τ∥X∥∗\mathcal D_\tau(Y)=\arg\min_X \tfrac12\|X-Y\|_F^2+\tau\|X\|_*Dτ​(Y)=argminX​21​∥X−Y∥F2​+τ∥X∥∗​.
  3. Sparsity of the iterates (§2.2, p. 1961): since Y0=0Y^0=0Y0=0, every YkY^kYk vanishes outside Ω\OmegaΩ.
  4. Eq. (2.14) (p. 1964): the minimizers of the Lagrangian fτ(X)+⟨Y,PΩ(M−X)⟩f_\tau(X)+\langle Y,P_\Omega(M-X)\ranglefτ​(X)+⟨Y,PΩ​(M−X)⟩ are those of τ∥X∥∗+12∥X−PΩY∥F2\tau\|X\|_*+\tfrac12\|X-P_\Omega Y\|_F^2τ∥X∥∗​+21​∥X−PΩ​Y∥F2​.
  5. Lemma 4.1 (p. 1968): for Z∈∂fτ(X)Z\in\partial f_\tau(X)Z∈∂fτ​(X), Z′∈∂fτ(X′)Z'\in\partial f_\tau(X')Z′∈∂fτ​(X′), ⟨Z−Z′,X−X′⟩≥∥X−X′∥F2\langle Z-Z',X-X'\rangle\ge\|X-X'\|_F^2⟨Z−Z′,X−X′⟩≥∥X−X′∥F2​.
  6. The §3.1 reduction (p. 1964): for a sampling operator, A∗A=PΩ\mathcal A^*\mathcal A=P_\OmegaA∗A=PΩ​ and (3.3) becomes (2.7) under Yk=A∗(yk)Y^k=\mathcal A^*(y^k)Yk=A∗(yk).
  7. Theorem 4.2, first sentence, as above.

Significance

The theorem certifies that SVT, run with any step sizes in a fixed interval (0,2)(0,2)(0,2), computes the unique minimizer of the strongly convex surrogate (2.8). Together with the separate fact that the solution of (2.8) tends to the minimum nuclear norm completion as τ→∞\tau\to\inftyτ→∞ (the paper's Theorem 3.1, a companion mission), this is what justifies using SVT as a solver for nuclear-norm matrix completion. Theorem 2.1, the proximal characterization of singular value soft-thresholding, is used throughout the literature on proximal methods for low-rank problems.

The paper's proof of Theorem 4.2 consists of the reduction to Uzawa's method and a citation of a general convergence theorem for projected gradient methods on the dual. The formalization produces a self-contained, machine-checked chain: the proximal characterization of Dτ\mathcal D_\tauDτ​, the Lagrangian identity, strong monotonicity of ∂fτ\partial f_\tau∂fτ​, and the convergence argument itself. To our knowledge none of these results has a machine-checked proof; Mathlib at the pinned revision has singular values of linear maps but no SVD structure, no nuclear norm and no subgradient calculus.

Difficulty

Nothing in the iteration is a gradient step of a smooth function in XXX: the XXX-update is a nonsmooth proximal map, and the convergence of XkX^kXk is not visible from the recursion itself. The paper's argument cites a general theorem on projected gradient methods ([25, Theorem 2.1]) and takes for granted that "strong duality holds" for (2.8) (p. 1963), so the existence of a Lagrange multiplier is part of what must be formalized. Theorem 2.1 depends on the subdifferential of the nuclear norm, which Mathlib does not provide, and therefore on the singular value decomposition and the duality between the nuclear and spectral norms. Convergence of objective values or of a subsequence would not suffice: the target is convergence of the whole sequence XkX^kXk to the unique solution.

Formalization scope

Matrices are Matrix (Fin n₁) (Fin n₂) ℝ; convergence is Mathlib's topology on matrices, which coincides with the Frobenius-norm topology. ⟨⋅,⋅⟩\langle\cdot,\cdot\rangle⟨⋅,⋅⟩ and ∥⋅∥F\|\cdot\|_F∥⋅∥F​ are defined entrywise; ∥X∥∗\|X\|_*∥X∥∗​ is the sum of Mathlib's LinearMap.singularValues of XXX viewed as a map Rn2→Rn1\mathbb R^{n_2}\to\mathbb R^{n_1}Rn2​→Rn1​. The shrinkage operator is a relation IsShrink τ Y X defined, as in (2.1)–(2.2), through some reduced SVD of YYY; well-definedness is a milestone. It is not defined as the minimizer of (2.3), which would make Theorem 2.1 definitional. Linear maps A\mathcal AA are given by matrices A1,…,AmA_1,\dots,A_mA1​,…,Am​ with A(X)i=⟨Ai,X⟩\mathcal A(X)_i=\langle A_i,X\rangleA(X)i​=⟨Ai​,X⟩, and a sampling operator by an injective enumeration of Ω\OmegaΩ. Subgradients are those of (2.4).

Sequences are indexed by N\mathbb NN: Lean's step k+1k+1k+1 is the paper's step kkk, so X0X^0X0 and δ0\delta_0δ0​ are unused. Committed conventions:

  • Y0=0Y^0=0Y0=0 and y0=0y^0=0y0=0 are hypotheses; with a start that is nonzero outside Ω\OmegaΩ the iterates converge to a different matrix.
  • The standing τ>0\tau>0τ>0 is kept, except in Theorem 2.1 and the well-definedness statement, which are printed for τ≥0\tau\ge0τ≥0.
  • The step-size conditions are explicit bounds a>0a>0a>0, CCC with a≤δk≤Ca\le\delta_k\le Ca≤δk​≤C for k≥1k\ge1k≥1, together with C<2C<2C<2, respectively C∥A∥2<2C\|\mathcal A\|^2<2C∥A∥2<2. The multiplicative form avoids Lean's x/0=0x/0=0x/0=0: for A=0\mathcal A=0A=0 the condition does not become unsatisfiable.
  • Feasibility of (3.1) is an added hypothesis of Theorem 4.2's first sentence, since "the unique solution" presupposes it.
  • "Converges to the unique solution" is stated as existence and uniqueness of the solution together with convergence of the whole sequence to it.

A small unprinted helper, ∥A∥≤1\|\mathcal A\|\le1∥A∥≤1 for sampling operators, is included to pass from the first sentence of Theorem 4.2 to the second; it is not a milestone. The subdifferential formula (2.6) of the nuclear norm and the Fejér-type condition of §5.1.2 are not stated. Reusable infrastructure welcome from solvers: existence and uniqueness properties of the reduced SVD, the nuclear/spectral norm duality, the subdifferential of the nuclear norm, and a general convergence theorem for Uzawa's method with a strongly convex objective.

Selected references

  • J.-F. Cai, E. J. Candès, Z. Shen, A Singular Value Thresholding Algorithm for Matrix Completion, SIAM J. Optim. 20(4):1956–1982, 2010. https://doi.org/10.1137/080738970
  • E. J. Candès, B. Recht, Exact Matrix Completion via Convex Optimization, Found. Comput. Math. 9:717–772, 2009. https://doi.org/10.1007/s10208-009-9045-5
  • K. J. Arrow, L. Hurwicz, H. Uzawa, Studies in Linear and Non-Linear Programming, Stanford University Press, 1958.
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Harmonic Analysis·Captain: Lucas

Fast Fourier Transform I: Correctness of the Radix-2 Cooley–Tukey AlgorithmTextbook

Motivation

The discrete Fourier transform (DFT) is the basic spectral tool of digital signal processing, numerical analysis and computational number theory: it turns a finite sample of a signal into its frequency content, converts convolution into pointwise multiplication, and underlies fast integer and polynomial multiplication. Computed straight from its defining sum, a transform of length nnn costs Θ(n2)\Theta(n^2)Θ(n2) arithmetic operations. The fast Fourier transform (FFT) is any method that computes the same values in O(nlog⁡n)O(n \log n)O(nlogn) operations, and the radix-2 Cooley–Tukey algorithm is the most widely used of them.

The history is long and worth stating precisely. Gauss used an equivalent divide-and-conquer scheme in unpublished work of 1805 on the orbits of Pallas and Juno, without any complexity analysis. Danielson and Lanczos (1942) published the doubling step — the even/odd splitting identity that the recursion rests on — for x-ray crystallography. Good (1958) gave the prime-factor algorithm for coprime factorizations. Cooley and Tukey (1965) published the general composite-size algorithm together with the O(nlog⁡n)O(n \log n)O(nlogn) analysis that made the method famous. What is not known is a matching lower bound: whether a DFT of length nnn can be computed in o(nlog⁡n)o(n \log n)o(nlogn) arithmetic operations is open.

Setting

Fix a length n∈Nn \in \mathbb{N}n∈N and a sequence of complex samples x0,x1,x2,…x_0, x_1, x_2, \dotsx0​,x1​,x2​,…, modelled as a function x:N→Cx : \mathbb{N} \to \mathbb{C}x:N→C. The DFT of length nnn evaluated at frequency index kkk is

dft(n,x)(k)  =  ∑m=0n−1xm e−2πi mk/n,\mathrm{dft}(n, x)(k) \;=\; \sum_{m=0}^{n-1} x_m \, e^{-2\pi i\, m k / n},dft(n,x)(k)=m=0∑n−1​xm​e−2πimk/n,

and the inverse transform of a spectrum XXX is

idft(n,X)(m)  =  1n∑k=0n−1Xk e+2πi mk/n.\mathrm{idft}(n, X)(m) \;=\; \frac{1}{n} \sum_{k=0}^{n-1} X_k \, e^{+2\pi i\, m k / n}.idft(n,X)(m)=n1​k=0∑n−1​Xk​e+2πimk/n.

Only the first nnn samples x0,…,xn−1x_0, \dots, x_{n-1}x0​,…,xn−1​ enter the sum; the frequency index kkk is an arbitrary natural number, and the transform is nnn-periodic in it.

The radix-2 Cooley–Tukey algorithm is the recursion on the exponent ppp, with n=2pn = 2^pn=2p:

fft(0,x)(k)=x0,fft(p+1,x)(k)=E ⁣(k mod 2p)+e−2πik/2p+1⋅O ⁣(k mod 2p),\mathrm{fft}(0, x)(k) = x_0, \qquad \mathrm{fft}(p+1, x)(k) = E\!\left(k \bmod 2^p\right) + e^{-2\pi i k / 2^{p+1}} \cdot O\!\left(k \bmod 2^p\right),fft(0,x)(k)=x0​,fft(p+1,x)(k)=E(kmod2p)+e−2πik/2p+1⋅O(kmod2p),

where E=fft(p,m↦x2m)E = \mathrm{fft}(p, m \mapsto x_{2m})E=fft(p,m↦x2m​) is the transform of the even-indexed subsequence and O=fft(p,m↦x2m+1)O = \mathrm{fft}(p, m \mapsto x_{2m+1})O=fft(p,m↦x2m+1​) that of the odd-indexed one. The factor e−2πik/2p+1e^{-2\pi i k/2^{p+1}}e−2πik/2p+1 is the twiddle factor of the merge stage.

The arithmetic cost of that recursion is modelled by two counters. At the merge stage of a transform of 2p+12^{p+1}2p+1 points there are 2p2^p2p butterflies; each butterfly performs one twiddle-factor multiplication and two complex additions, and the two recursive calls are on 2p2^p2p points each:

M(0)=0,M(p+1)=2M(p)+2p,A(0)=0,A(p+1)=2A(p)+2p+1.M(0) = 0, \quad M(p+1) = 2M(p) + 2^p, \qquad A(0) = 0, \quad A(p+1) = 2A(p) + 2^{p+1}.M(0)=0,M(p+1)=2M(p)+2p,A(0)=0,A(p+1)=2A(p)+2p+1.

Formalization targets

Goal

∀ p∈N, ∀ x:N→C, ∀ k∈N:fft(p,x)(k)  =  dft(2p,x)(k).\forall\, p \in \mathbb{N},\ \forall\, x : \mathbb{N} \to \mathbb{C},\ \forall\, k \in \mathbb{N}: \quad \mathrm{fft}(p, x)(k) \;=\; \mathrm{dft}(2^p, x)(k).∀p∈N, ∀x:N→C, ∀k∈N:fft(p,x)(k)=dft(2p,x)(k).

The goal fixes no operation count and no rate: it asserts only that the recursion computes exactly the transform it is supposed to compute, at every frequency index, for every input. That is the statement an implementation's correctness rests on, and it stays true whatever the cost analysis of the algorithm turns out to be.

Supporting targets

The milestones are the intermediate statements the source separates out: nnn-periodicity of the transform in the frequency index; the Danielson–Lanczos even/odd splitting

dft(2N,x)(k)=dft(N,m↦x2m)(k)+e−2πik/(2N)⋅dft(N,m↦x2m+1)(k)(N≥1);\mathrm{dft}(2N, x)(k) = \mathrm{dft}(N, m \mapsto x_{2m})(k) + e^{-2\pi i k/(2N)} \cdot \mathrm{dft}(N, m \mapsto x_{2m+1})(k) \qquad (N \ge 1);dft(2N,x)(k)=dft(N,m↦x2m​)(k)+e−2πik/(2N)⋅dft(N,m↦x2m+1​)(k)(N≥1);

Fourier inversion idft(n,dft(n,x))(m)=xm\mathrm{idft}(n, \mathrm{dft}(n, x))(m) = x_midft(n,dft(n,x))(m)=xm​ for m<nm < nm<n; the conjugate symmetry Xn−k=Xk‾X_{n-k} = \overline{X_k}Xn−k​=Xk​​ of the spectrum of a real input; and the closed forms M(p)=n2log⁡2nM(p) = \tfrac{n}{2}\log_2 nM(p)=2n​log2​n and A(p)=nlog⁡2nA(p) = n\log_2 nA(p)=nlog2​n of the two cost recursions, with n=2pn = 2^pn=2p.

Significance

Fourier inversion and the splitting identity are the two facts that make the transform usable at all: the first says no information is lost, the second is the single algebraic step from which every Cooley–Tukey variant — mixed radix, split radix, iterative bit-reversed implementations — is assembled. The operation counts are what justify the claim that the algorithm is O(nlog⁡n)O(n\log n)O(nlogn) rather than Θ(n2)\Theta(n^2)Θ(n2): for n=220n = 2^{20}n=220 they are the difference between roughly 101210^{12}1012 and roughly 2×1072 \times 10^72×107 complex multiplications.

None of this is open mathematics; all of it is classical. What this mission produces is a self-contained machine-checked development of the radix-2 algorithm against an explicit definition of the DFT: a recursive algorithm, a proof that it agrees with the defining sum at every index, and a proof of its arithmetic cost. Mathlib carries Fourier theory for characters of finite abelian groups and for Z/nZ\mathbb{Z}/n\mathbb{Z}Z/nZ, but the mission is stated against the elementary sum above so that the statements can be read, and audited, without that background.

Difficulty

The obvious induction on ppp does not close by itself. Unfolding the recursion gives the even and odd sub-transforms evaluated at the reduced index k mod 2pk \bmod 2^pkmod2p, while the splitting identity produces them at kkk. Closing the gap needs periodicity of the length-NNN transform in its frequency index — which is why periodicity is a milestone rather than a step inside the main proof. The second recurring obstacle is bookkeeping with the exponential: e−2πi(2m)k/(2N)=e−2πimk/Ne^{-2\pi i (2m)k/(2N)} = e^{-2\pi i mk/N}e−2πi(2m)k/(2N)=e−2πimk/N and e−2πim=1e^{-2\pi i m} = 1e−2πim=1 are the only analytic inputs, but they must be applied under a finite sum with natural-number casts, where N\mathbb{N}N-subtraction and division by a cast nnn that may be zero are easy to get wrong.

Formalization scope

Sequences are total functions N→C\mathbb{N} \to \mathbb{C}N→C, not vectors of a fixed length: the length nnn appears only as the range of the defining sum, so the transform of length nnn ignores xmx_mxm​ for m≥nm \ge nm≥n. The frequency index ranges over all of N\mathbb{N}N, and the goal is asserted for every such index, not only for k<2pk < 2^pk<2p — the periodicity of both sides makes this the stronger, and cleaner, statement.

Degenerate inputs are inside the statements, not excluded by hypothesis. The length-000 transform is the empty sum 000; division by the cast (n:C)=0(n : \mathbb{C}) = 0(n:C)=0 follows Lean's convention z/0=0z/0 = 0z/0=0, which is why inversion carries the hypothesis 0<n0 < n0<n and the splitting identity carries 0<N0 < N0<N. The real-input symmetry is stated for k≤nk \le nk≤n, with N\mathbb{N}N-subtraction in n−kn - kn−k.

There is no trivializing reading: the FFT recursion is defined without ever mentioning the DFT, the cost counters are defined by their own recursions, and every hypothesis in the list above is satisfiable.

A complete development needs: the geometric-sum evaluation of ∑k<nζk\sum_{k<n} \zeta^k∑k<n​ζk for an nnn-th root of unity ζ≠1\zeta \ne 1ζ=1 (for inversion), the even/odd reindexing of a sum over {0,…,2N−1}\{0,\dots,2N-1\}{0,…,2N−1}, and the periodicity computations above. All of these are reusable beyond this mission; the splitting identity in particular is the entry point for a mixed-radix or split-radix sequel.

Selected references

  • J. W. Cooley and J. W. Tukey, An algorithm for the machine calculation of complex Fourier series, Mathematics of Computation 19 (1965), 297–301. https://doi.org/10.1090/S0025-5718-1965-0178586-1
  • G. C. Danielson and C. Lanczos, Some improvements in practical Fourier analysis and their application to x-ray scattering from liquids, Journal of the Franklin Institute 233 (1942), 365–380 and 435–452. https://doi.org/10.1016/S0016-0032(42)90767-1
  • M. T. Heideman, D. H. Johnson and C. S. Burrus, Gauss and the history of the fast Fourier transform, Archive for History of Exact Sciences 34 (1985), 265–277. https://doi.org/10.1007/BF00348431
  • Fast Fourier transform, Wikipedia. https://en.wikipedia.org/wiki/Fast_Fourier_transform
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Analysis·Captain: Lucas

Padé Approximants: Existence and Uniqueness of the [m/n] ApproximantTextbook

Motivation

A Padé approximant is the "best" approximation of a function near a point by a rational function of prescribed numerator and denominator degrees. The idea goes back to Georg Frobenius (1881), who studied relations among the convergents of a power series, and was developed systematically by Henri Padé in his 1892 thesis. Unlike a truncated Taylor polynomial, a rational approximant can reproduce poles, and it often converges where the Taylor series does not; this is why Padé approximants are standard tools in numerical computation, in the resummation of divergent perturbation series in physics, and — through the "ad hoc methods inspired by Padé theory" — in Diophantine approximation and transcendence proofs.

The theory rests on one structural fact, stated in the source as a single sentence: when it exists, the Padé approximant is unique as a formal power series for the given mmm and nnn. That sentence hides the two theorems this mission asks for — that a suitable pair of polynomials always exists, and that any two such pairs define the same rational function.

Setting

Fix a field FFF and a formal power series

f(x)  =  c0+c1x+c2x2+⋯∈F[[x]].f(x) \;=\; c_0 + c_1 x + c_2 x^2 + \cdots \in F[[x]] .f(x)=c0​+c1​x+c2​x2+⋯∈F[[x]].

Given integers m≥0m \ge 0m≥0 and n≥0n \ge 0n≥0, one looks for a rational function

R(x)  =  ∑j=0majxj1+∑k=1nbkxk  =  P(x)Q(x)R(x) \;=\; \frac{\sum_{j=0}^{m} a_j x^j}{1 + \sum_{k=1}^{n} b_k x^k} \;=\; \frac{P(x)}{Q(x)}R(x)=1+∑k=1n​bk​xk∑j=0m​aj​xj​=Q(x)P(x)​

whose Maclaurin expansion agrees with that of fff through order m+nm+nm+n, i.e.

f(x)−R(x)  =  cm+n+1′xm+n+1+cm+n+2′xm+n+2+⋯ .f(x) - R(x) \;=\; c_{m+n+1}' x^{m+n+1} + c_{m+n+2}' x^{m+n+2} + \cdots .f(x)−R(x)=cm+n+1′​xm+n+1+cm+n+2′​xm+n+2+⋯.

This is denoted [m/n]f(x)[m/n]_f(x)[m/n]f​(x).

Written this way the condition is nonlinear in the unknowns and presupposes Q(0)≠0Q(0) \neq 0Q(0)=0. The classical device, due to Frobenius, is to linearize: instead of asking that f−P/Qf - P/Qf−P/Q vanish to order m+n+1m+n+1m+n+1, one asks that

Q(x)f(x)−P(x)  ≡  0(modxm+n+1),deg⁡P≤m,deg⁡Q≤n,Q≠0.Q(x) f(x) - P(x) \;\equiv\; 0 \pmod{x^{m+n+1}}, \qquad \deg P \le m,\quad \deg Q \le n,\quad Q \neq 0 .Q(x)f(x)−P(x)≡0(modxm+n+1),degP≤m,degQ≤n,Q=0.

A pair (P,Q)(P, Q)(P,Q) satisfying these three conditions is what this mission calls a Padé pair of type [m/n][m/n][m/n] for fff; it is the predicate every statement below is phrased with. The linearized problem is a homogeneous linear system, so it is always solvable, whereas the original ratio problem is not: the linearized solution may have Q(0)=0Q(0) = 0Q(0)=0, in which case no normalized RRR of the displayed shape exists (the "[m/n][m/n][m/n] entry of the Padé table is defect"). The two formulations coincide exactly when Q(0)≠0Q(0) \neq 0Q(0)=0.

Target

The goal theorem is the conjunction of existence and uniqueness for the linearized problem, over an arbitrary field FFF, for all m,n≥0m, n \ge 0m,n≥0:

(E)∃ P,Q∈F[x]: Q≠0, deg⁡P≤m, deg⁡Q≤n, Qf−P≡0 (mod xm+n+1),\textbf{(E)} \quad \exists\, P, Q \in F[x] : \ Q \neq 0,\ \deg P \le m,\ \deg Q \le n,\ Q f - P \equiv 0 \ (\mathrm{mod}\ x^{m+n+1}),(E)∃P,Q∈F[x]: Q=0, degP≤m, degQ≤n, Qf−P≡0 (mod xm+n+1), (U)(P1,Q1),(P2,Q2) Padeˊ pairs of type [m/n] ⟹ P1Q2=P2Q1.\textbf{(U)} \quad (P_1,Q_1), (P_2,Q_2) \ \text{Padé pairs of type } [m/n] \ \Longrightarrow\ P_1 Q_2 = P_2 Q_1 .(U)(P1​,Q1​),(P2​,Q2​) Padeˊ pairs of type [m/n] ⟹ P1​Q2​=P2​Q1​.

Statement (U) is the precise content of "the Padé approximant is unique": the two pairs need not be equal — they may differ by a common polynomial factor — but they determine the same element of F(x)F(x)F(x), and hence the same formal power series wherever the quotient is defined.

The milestones are: existence (E); uniqueness (U); the equivalence between the linearized condition and agreement of Maclaurin expansions when Q(0)≠0Q(0) \neq 0Q(0)=0; the Bézout form P=Q Tm+n+Kxm+n+1P = Q\,T_{m+n} + K x^{m+n+1}P=QTm+n​+Kxm+n+1 used by the extended-Euclidean computation of the approximant; the normalization of the denominator to constant term 111; and the two worked examples given in the source, namely [2/2][2/2][2/2] for ln⁡(1+x)\ln(1+x)ln(1+x) and [5/5][5/5][5/5] for exp⁡(x)\exp(x)exp(x).

Significance

The result itself. Existence and uniqueness are what make the Padé table — the doubly indexed array ([m/n]f)m,n≥0([m/n]_f)_{m,n \ge 0}([m/n]f​)m,n≥0​ — a well-defined object, and therefore what make every identity among its entries (the block structure of the table, the Frobenius identities, Wynn's ε\varepsilonε-algorithm and the cross rules) meaningful. Every computational route to the approximant, including the extended-Euclidean route recorded in the source, computes the [m/n][m/n][m/n] approximant only because of (U).

Formalizing it. Mathlib has formal power series, polynomials, truncation, and the inverse of a power series with invertible constant term, but no Padé theory: there is no predicate for the [m/n][m/n][m/n] condition and no existence or uniqueness statement. This mission adds the linearized predicate and the two structural theorems, which is the minimum foundation on which the Padé table, the block theorem, and convergence results such as Nuttall–Pommerenke could later be built. The results are classical and have textbook proofs; the contribution here is the machine-checked development, not new mathematics.

Difficulty

Neither theorem is deep, but both have a specific step where the obvious approach fails.

For existence, the naive route — solve for QQQ, then read off PPP — requires knowing that the homogeneous system for the n+1n+1n+1 coefficients of QQQ given by the nnn equations "coefficients of xm+1,…,xm+nx^{m+1}, \dots, x^{m+n}xm+1,…,xm+n of QfQfQf vanish" has a nonzero solution. That is a rank argument about a rectangular Toeplitz-like matrix, and the work in Lean is in packaging it as a linear-algebra statement rather than in the mathematics.

For uniqueness, the one-line argument is to divide: from Q1f≡P1Q_1 f \equiv P_1Q1​f≡P1​ and Q2f≡P2Q_2 f \equiv P_2Q2​f≡P2​ conclude P1/Q1=P2/Q2P_1/Q_1 = P_2/Q_2P1​/Q1​=P2​/Q2​. This is invalid, because QiQ_iQi​ need not be invertible modulo xm+n+1x^{m+n+1}xm+n+1 (its constant term may vanish) and F[x]/(xm+n+1)F[x]/(x^{m+n+1})F[x]/(xm+n+1) is not a domain. The correct argument compares Q2(Q1f−P1)−Q1(Q2f−P2)=Q1P2−Q2P1Q_2(Q_1 f - P_1) - Q_1(Q_2 f - P_2) = Q_1 P_2 - Q_2 P_1Q2​(Q1​f−P1​)−Q1​(Q2​f−P2​)=Q1​P2​−Q2​P1​, whose left side is divisible by xm+n+1x^{m+n+1}xm+n+1 while its right side has degree at most m+nm+nm+n; the difficulty is the degree bookkeeping, not the algebra.

A solver should also note that (U) is not the claim P1=P2∧Q1=Q2P_1 = P_2 \wedge Q_1 = Q_2P1​=P2​∧Q1​=Q2​, which is false — rescaling, or a common factor, gives distinct pairs.

Formalization scope

The development is over an arbitrary field F (the definition itself only needs a commutative ring), with f : PowerSeries F, and P Q : Polynomial F. Conventions fixed in Lean, and worth reading before starting:

  • Degree bounds use Polynomial.degree ≤ (m : WithBot ℕ), so the zero polynomial satisfies every bound; in particular P=0P = 0P=0 is allowed and Q=0Q = 0Q=0 is excluded by an explicit hypothesis.
  • The congruence modulo xm+n+1x^{m+n+1}xm+n+1 is expressed coefficientwise: all coefficients of index k≤m+nk \le m+nk≤m+n of Qf−PQ f - PQf−P vanish. Polynomials are viewed inside PowerSeries F through the canonical coercion.
  • The degenerate cases m=0m = 0m=0, n=0n = 0n=0 and f=0f = 0f=0 are included; nothing in the statements excludes them.
  • The inverse Q−1Q^{-1}Q−1 in the Maclaurin-agreement milestone is Mathlib's power series inverse, which is a genuine inverse precisely under the stated hypothesis Q(0)≠0Q(0) \neq 0Q(0)=0.
  • Nothing is normalized silently: the hypothesis Q(0)≠0Q(0)\ne 0Q(0)=0 appears only where the source's normalized form 1+b1x+⋯1 + b_1x + \cdots1+b1​x+⋯ is used, and the normalization itself is a separate milestone.
  • The two examples are over Q\mathbb{Q}Q, with exp⁡\expexp taken to be Mathlib's PowerSeries.exp ℚ and ln⁡(1+x)\ln(1+x)ln(1+x) supplied as an explicit series ∑k≥1(−1)k+1xk/k\sum_{k \ge 1} (-1)^{k+1} x^k / k∑k≥1​(−1)k+1xk/k.

Contributions of further Padé material — the Padé table, defect entries, the block structure, or the ε\varepsilonε-algorithm — are welcome as follow-up missions built on this predicate.

Selected references

  • Frobenius, G., "Ueber Relationen zwischen den Näherungsbrüchen von Potenzreihen", Journal für die reine und angewandte Mathematik 90 (1881), 1–17. https://gdz.sub.uni-goettingen.de/id/PPN243919689_0090
  • Padé, H., "Sur la représentation approchée d'une fonction par des fractions rationnelles" (thesis), Ann. Sci. École Norm. Sup. (3) 9 (1892), 3–93 (supplement). https://www.numdam.org/item/?id=ASENS_1892_3_9__S3_0
  • Baker, G. A., Jr., and Graves-Morris, P., Padé Approximants, 2nd ed., Cambridge University Press, 1996.
  • Gragg, W. B., "The Padé Table and Its Relation to Certain Algorithms of Numerical Analysis", SIAM Review 14 (1972), 1–62. https://doi.org/10.1137/1014001
  • Bini, D., and Pan, V., Polynomial and Matrix Computations, Vol. 1, Birkhäuser, 1994 (Problem 5.2b and Algorithm 5.2, p. 46).
  • "Padé approximant", Wikipedia, revision 1374746248. https://en.wikipedia.org/w/index.php?title=Pad%C3%A9_approximant&oldid=1374746248
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Algebra·Captain: Lucas

Métodos Numéricos (Freitas) II: Zeros de Polinômios e o Algoritmo de HornerTextbook

Motivation

Polynomial equations are the special case of root finding where algebra says a great deal before analysis is needed: the number of roots is known, the roots of a real polynomial come in conjugate pairs, the rational candidates can be listed, and the whole complex plane can be narrowed down to an annulus that must contain every root. A numerical method that exploits this information starts closer to the answer and needs fewer evaluations; and each evaluation itself can be made cheaper by Horner's scheme, which also delivers the deflated quotient for free.

This mission is the second in a series formalizing the lecture notes Métodos Numéricos by Sergio Roberto de Freitas (UFMS, 2000). It covers Chapter 4, Zeros de Polinômios.

Setting

Throughout, a polynomial is written in the book's convention

P(z)=a0zn+a1zn−1+dots+an−1z+an,P(z) = a_0 z^n + a_1 z^{n-1} + \\dots + a_{n-1} z + a_n,P(z)=a0​zn+a1​zn−1+dots+an−1​z+an​,

so the index iii names the coefficient of zn−iz^{n-i}zn−i and a0a_0a0​ is the leading coefficient. The coefficients are real (integral, in the rational-root milestone) and zzz ranges over mathbbC\\mathbb{C}mathbbC unless stated otherwise.

Horner's algorithm computes P(c)P(c)P(c) by the recurrence b0=a0b_0 = a_0b0​=a0​, bi=ai+c,bi−1b_i = a_i + c\\,b_{i-1}bi​=ai​+c,bi−1​, so that P(c)=bnP(c) = b_nP(c)=bn​, using nnn multiplications and nnn additions. The same numbers b0,dots,bn−1b_0, \\dots, b_{n-1}b0​,dots,bn−1​ are the coefficients of the deflated polynomial QQQ with P(w)=(w−c),Q(w)+P(c)P(w) = (w - c)\\,Q(w) + P(c)P(w)=(w−c),Q(w)+P(c).

With A=max∣a1∣,dots,∣an∣A = \\max\\{|a_1|, \\dots, |a_n|\\}A=max∣a1​∣,dots,∣an​∣ and B=max∣a0∣,dots,∣an−1∣B = \\max\\{|a_0|, \\dots, |a_{n-1}|\\}B=max∣a0​∣,dots,∣an−1​∣, the chapter's two localization results confine the roots to the annulus

frac11+B/∣an∣;le;∣z∣;le;1+fracA∣a0∣.\\frac{1}{1 + B/|a_n|} \\;\\le\\; |z| \\;\\le\\; 1 + \\frac{A}{|a_0|}.frac11+B/∣an​∣;le;∣z∣;le;1+fracA∣a0​∣.

Target

The goal theorem is the outer bound (Proposição 4.2.1): every complex root of PPP satisfies ∣z∣le1+A/∣a0∣|z| \\le 1 + A/|a_0|∣z∣le1+A/∣a0​∣, where AAA is the largest absolute value among the non-leading coefficients.

The milestones are the companion results of the chapter: the inner bound (Proposição 4.2.2), the fact that non-real roots of a real polynomial occur in conjugate pairs (Proposição 4.1.1), the existence of a real root in odd degree (Proposição 4.1.2), the correctness of Horner's evaluation scheme, and the deflation identity that accompanies it.

Significance

The two localization bounds are what makes a search for complex roots finite: they give an explicit compact region to sweep, and they give scale information that prevents an iteration from wandering off. The conjugate-pair statement halves the work for real polynomials and is the reason odd-degree real polynomials always have a real root. The rational-root test turns exact factorization into a finite search. Horner's scheme is the standard way a polynomial is evaluated inside every root finder, and its deflation identity is what lets a method remove a root that has already been found and continue with a polynomial of lower degree.

Mathlib already contains general results close to some of these (a polynomial over a real closed field of odd degree has a root; rational-root divisibility), so those milestones are accessible; the two localization bounds and the Horner statements in the book's index convention are the substantive new work.

Difficulty

The localization proofs in the source are short but rest on a geometric-series estimate that is only valid for ∣z∣>1|z| > 1∣z∣>1; the boundary cases ∣z∣le1|z| \\le 1∣z∣le1 have to be treated separately in a formal proof, and the degenerate situations (n=1n = 1n=1, coefficients all zero except the leading one) must be checked rather than waved through. The inner bound is obtained from the outer one by the substitution w=1/zw = 1/zw=1/z, which requires knowing that zneq0z \\neq 0zneq0 is a root of PPP if and only if www is a root of the reversed polynomial — an argument that has to be made explicit. The Horner statements look computational but need a careful induction because the exponents are natural-number subtractions.

Formalization scope

Coefficients are given as a function a:mathbbNtomathbbRa : \\mathbb{N} \\to \\mathbb{R}a:mathbbNtomathbbR together with a degree nnn, and the polynomial is the finite sum sumi=0naizn−i\\sum_{i=0}^{n} a_i z^{n-i}sumi=0n​ai​zn−i; two versions are provided, one evaluated at a real point and one at a complex point, with the coefficients coerced into mathbbC\\mathbb{C}mathbbC. Only indices 0leilen0 \\le i \\le n0leilen are read, so the values of aaa beyond nnn are irrelevant to every statement. The exponent n−in - in−i is natural-number subtraction, which is harmless in this range. No hypothesis says that the family aaa describes a polynomial of exact degree nnn beyond the explicit assumptions a0neq0a_0 \\neq 0a0​neq0 or anneq0a_n \\neq 0an​neq0 where they appear. The constants AAA and BBB are given as hypotheses equating them to the maximum of the relevant finite family of absolute values, rather than being defined separately. The rational-root and odd-degree milestones are stated with Mathlib's polynomial type instead of the coefficient-family encoding, since their statements involve no index convention.

Selected references

  • S. R. Freitas, Métodos Numéricos, Departamento de Computação e Estatística, Universidade Federal de Mato Grosso do Sul, 2000. Chapter 4, Zeros de Polinômios, pp. 71–84. (Course notes supplied with this mission.)
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Métodos Numéricos (Freitas) IV: Ajuste de Curvas e o Sistema Normal dos Mínimos QuadradosTextbook

Motivation

Experimental data are not exact, and forcing a curve through every measured point reproduces the noise rather than the law behind it. Curve fitting replaces interpolation by approximation: choose a family of shapes — a straight line, a polynomial of low degree, a combination of prescribed base functions — and pick the member of the family that is closest to the data in the least-squares sense. The resulting minimization is the numerical method most often used outside numerical analysis itself, from calibration curves to regression in statistics.

This mission is the fourth in a series formalizing the lecture notes Métodos Numéricos by Sergio Roberto de Freitas (UFMS, 2000). It covers Chapter 6, Ajuste de Curvas.

Setting

Data are m+1m+1m+1 pairs (xi,fi)(x_i, f_i)(xi​,fi​), i=0,dots,mi = 0, \\dots, mi=0,dots,m. Fix n+1n+1n+1 base functions varphi0,dots,varphin\\varphi_0, \\dots, \\varphi_nvarphi0​,dots,varphin​ and look for coefficients c0,dots,cnc_0, \\dots, c_nc0​,dots,cn​ making

g(x)=c0varphi0(x)+dots+cnvarphin(x)g(x) = c_0\\varphi_0(x) + \\dots + c_n\\varphi_n(x)g(x)=c0​varphi0​(x)+dots+cn​varphin​(x)

close to the data. The least-squares functional is

S(c0,dots,cn)=sumi=0mbigl(c0varphi0(xi)+dots+cnvarphin(xi)−fibigr)2.S(c_0,\\dots,c_n) = \\sum_{i=0}^{m}\\bigl(c_0\\varphi_0(x_i) + \\dots + c_n\\varphi_n(x_i) - f_i\\bigr)^2 .S(c0​,dots,cn​)=sumi=0m​bigl(c0​varphi0​(xi​)+dots+cn​varphin​(xi​)−fi​bigr)2.

Setting the partial derivatives to zero gives the normal system

sumi=0mvarphik(xi)bigl(c0varphi0(xi)+dots+cnvarphin(xi)bigr);=;sumi=0mvarphik(xi)fi,qquadk=0,dots,n,\\sum_{i=0}^{m}\\varphi_k(x_i)\\bigl(c_0\\varphi_0(x_i)+\\dots+c_n\\varphi_n(x_i)\\bigr) \\;=\\; \\sum_{i=0}^{m}\\varphi_k(x_i)f_i, \\qquad k = 0,\\dots,n,sumi=0m​varphik​(xi​)bigl(c0​varphi0​(xi​)+dots+cn​varphin​(xi​)bigr);=;sumi=0m​varphik​(xi​)fi​,qquadk=0,dots,n,

whose matrix is the Gram matrix akj=sumivarphik(xi)varphij(xi)a_{kj} = \\sum_i \\varphi_k(x_i)\\varphi_j(x_i)akj​=sumi​varphik​(xi​)varphij​(xi​).

Target

The goal theorem is the necessity direction of §6.3: a coefficient vector that minimizes SSS satisfies the normal system.

The milestones complete the picture the source leaves informal. First, the converse: any solution of the normal system is a global minimizer, so the normal system characterizes the least-squares fit rather than merely constraining it. Second, existence and uniqueness of the minimizer when the Gram matrix is invertible — the source assumes a minimum exists on geometric grounds, and this milestone supplies the hypothesis under which the assumption is a theorem. Third, the classical linear case varphi0=1\\varphi_0 = 1varphi0​=1, varphi1=x\\varphi_1 = xvarphi1​=x, where the normal system is the familiar pair of equations in the sums sumxi\\sum x_isumxi​, sumxi2\\sum x_i^2sumxi2​, sumfi\\sum f_isumfi​, sumxifi\\sum x_i f_isumxi​fi​.

Significance

The normal equations are the computational content of least squares: they turn an optimization over mathbbRn+1\\mathbb{R}^{n+1}mathbbRn+1 into one linear system, which the previous mission's methods can solve. The converse direction matters in practice because it is what licenses stopping at a stationary point, and the invertibility criterion is what tells a practitioner when the fit is determined by the data rather than under-determined by a badly chosen family of base functions.

Difficulty

The source differentiates SSS formally and reads off the necessary condition; a formal proof must either differentiate rigorously or argue directly with the quadratic expansion

S(c+tv)=S(c)+2tlangletextresidual,Phivrangle+t2lVertPhivrVert2,S(c+tv) = S(c) + 2t\\langle \\text{residual}, \\Phi v\\rangle + t^2\\lVert \\Phi v\\rVert^2,S(c+tv)=S(c)+2tlangletextresidual,Phivrangle+t2lVertPhivrVert2,

which also gives the converse at once. The existence-and-uniqueness milestone is where the real work is: invertibility of the Gram matrix has to be converted into positive definiteness of the quadratic form, and that into the existence of a unique global minimum.

Formalization scope

The data are indexed by a finite type with m+1m+1m+1 elements and the coefficients by one with n+1n+1n+1 elements, so both families are nonempty; the number of data points is not assumed to exceed the number of base functions, and the degenerate cases (repeated nodes, linearly dependent base functions) are allowed except where the Gram hypothesis excludes them. The base functions are arbitrary real functions given as a family varphi\\varphivarphi, evaluated only at the nodes xix_ixi​. Minimality is stated globally — the coefficient vector is compared with every other coefficient vector — not as a local or stationary condition, which avoids any appeal to differentiability in the statement. The Gram matrix hypothesis is that its determinant is a unit of mathbbR\\mathbb{R}mathbbR, i.e. nonzero. In the linear case the base functions are supplied together with the equations identifying them as the constant function 111 and the identity, so that the statement's two displayed equations are exactly the classical normal system.

Selected references

  • S. R. Freitas, Métodos Numéricos, Departamento de Computação e Estatística, Universidade Federal de Mato Grosso do Sul, 2000. Chapter 6, Ajuste de Curvas, pp. 119–131. (Course notes supplied with this mission.)
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Métodos Numéricos (Freitas) VI: Integração Numérica e o Erro da Fórmula de SimpsonTextbook

Motivation

Many definite integrals cannot be evaluated in closed form — the normal distribution function is the standard example in the source — and many others are integrals of functions known only through a table of values. Numerical quadrature replaces the integrand by an interpolating polynomial on each subinterval and integrates that instead. The two classical rules obtained this way, the trapezoidal rule (linear interpolation) and Simpson's rule (quadratic interpolation), come with error terms proportional to h2h^2h2 and h4h^4h4 respectively, and it is those error terms that tell the user how fine the subdivision has to be.

This mission is the sixth in a series formalizing the lecture notes Métodos Numéricos by Sergio Roberto de Freitas (UFMS, 2000). It covers Chapter 8, Integração Numérica.

Setting

Let fff be defined on [a,b][a,b][a,b] and subdivide the interval into nnn equal parts of length h=(b−a)/nh = (b-a)/nh=(b−a)/n, with nodes xi=a+ihx_i = a + ihxi​=a+ih.

The composite trapezoidal rule is

Tn=hleft(fracf(x0)+f(xn)2+sumi=1n−1f(xi)right),T_n = h\\left(\\frac{f(x_0) + f(x_n)}{2} + \\sum_{i=1}^{n-1} f(x_i)\\right),Tn​=hleft(fracf(x0​)+f(xn​)2+sumi=1n−1​f(xi​)right),

and the composite Simpson rule, defined when the number of subintervals is even, n=2kn = 2kn=2k, is

Sn=frach3Bigl(f(x0)+4f(x1)+2f(x2)+dots+4f(x2k−1)+f(x2k)Bigr).S_n = \\frac{h}{3}\\Bigl(f(x_0) + 4f(x_1) + 2f(x_2) + \\dots + 4f(x_{2k-1}) + f(x_{2k})\\Bigr).Sn​=frach3Bigl(f(x0​)+4f(x1​)+2f(x2​)+dots+4f(x2k−1​)+f(x2k​)Bigr).

The chapter derives, for each rule, an exact error term containing a derivative of fff at an unspecified intermediate point.

Target

The goal theorem is the composite Simpson error formula, equation (8.3): if fff is four times continuously differentiable on [a,b][a,b][a,b] and n=2kn = 2kn=2k with kge1k \\ge 1kge1, then there is muin(a,b)\\mu \\in (a,b)muin(a,b) with

intabf(x),dx;=;Sn;−;frac(b−a)5180,n4f(4)(mu).\\int_a^b f(x)\\,dx \\;=\\; S_n \\;-\\; \\frac{(b-a)^5}{180\\,n^4} f^{(4)}(\\mu).intab​f(x),dx;=;Sn​;−;frac(b−a)5180,n4f(4)(mu).

The milestones are the three error formulas the derivation passes through: the simple trapezoidal error −frach312f′′(mu)-\\frac{h^3}{12}f''(\\mu)−frach312f′′(mu) on one subinterval, its composite version −frac(b−a)h212f′′(mu)-\\frac{(b-a)h^2}{12}f''(\\mu)−frac(b−a)h212f′′(mu), and the simple Simpson error −frach590f(4)(mu)-\\frac{h^5}{90}f^{(4)}(\\mu)−frach590f(4)(mu) on a pair of subintervals.

Significance

The two composite error formulas are what turn a quadrature rule into a method with an accuracy guarantee: bounding ∣f′′∣|f''|∣f′′∣ or ∣f(4)∣|f^{(4)}|∣f(4)∣ by a constant on [a,b][a,b][a,b] converts them into the bounds fracM2(b−a)312n2\\frac{M_2(b-a)^3}{12n^2}fracM2​(b−a)312n2 and fracM4(b−a)5180n4\\frac{M_4(b-a)^5}{180n^4}fracM4​(b−a)5180n4, from which the number of subintervals needed for a prescribed tolerance is read off directly. The n−4n^{-4}n−4 rate is also the standard illustration of why a higher-order rule is worth its extra function evaluations, and why Simpson's rule is exact for cubics despite being built from quadratic interpolation.

Difficulty

Both composite formulas are obtained from the per-subinterval error by summing and then invoking the intermediate value theorem to replace a sum of derivative values at unknown points by nnn times the derivative at a single unknown point. That step needs continuity of the relevant derivative on the whole interval and a genuine intermediate-value argument, which is the part that a formal proof cannot wave through. The simple Simpson error itself is not a one-line Taylor estimate: the source integrates a remainder three times, and the standard alternative is a Peano-kernel argument.

Formalization scope

Integrals are the interval integral of a real-valued function with respect to Lebesgue measure. Smoothness is stated as continuous differentiability of order 222 (trapezoid) or 444 (Simpson) on the relevant closed interval, and the derivative in the error term is the iterated derivative computed within that closed interval; on the interior this coincides with the ordinary derivative. The quadrature rules are defined for arbitrary aaa, bbb and subdivision count, with h=(b−a)/nh = (b-a)/nh=(b−a)/n computed by total division, so the definitions also make sense for n=0n = 0n=0; the theorems assume a<ba < ba<b and a positive number of subintervals. Simpson's rule is parameterised by the half-count kkk, so the number of subintervals is 2k2k2k and is even by construction. The intermediate point mu\\mumu is asserted to exist in the open interval, with no uniqueness and no relation to the subdivision.

Selected references

  • S. R. Freitas, Métodos Numéricos, Departamento de Computação e Estatística, Universidade Federal de Mato Grosso do Sul, 2000. Chapter 8, Integração Numérica, pp. 163–182. (Course notes supplied with this mission.)
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