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Machine LearningOptimizationStatistics·Captain: mikedeng1

Simultaneous Analysis of Lasso and Dantzig Selector III: A Sparsity Oracle Inequality for the LassoResearch Paper

Motivation

In high-dimensional regression the number of candidate predictors MMM can far exceed the number of observations nnn. A regression function can then be estimated only if it is well approximated by a combination of a few elements of a large dictionary. The Lasso is the most widely used estimator in this regime. The question this mission formalizes is how well the Lasso predicts when the truth is not assumed to be sparse, or even to lie in the span of the dictionary.

A sparsity oracle inequality answers it. It bounds the prediction error of the estimator by the error of the best sparse approximation of the truth, which only an oracle knowing the truth could compute, plus a remainder proportional to the sparsity of that approximation times log⁡M/n\log M/nlogM/n. Bickel, Ritov and Tsybakov (arXiv:0801.1095, Ann. Statist. 37(4), 2009) proved such an inequality for the Lasso under their restricted eigenvalue (RE) condition. Earlier oracle inequalities for Lasso-type estimators in fixed design (Bunea, Tsybakov and Wegkamp, 2006–2007) required the Gram matrix to be positive definite or to satisfy a mutual-coherence condition. The RE condition is weaker and allows M≫nM\gg nM≫n, and it is now the standard hypothesis in this literature.

Setting

A dictionary f1,…,fMf_1,\dots,f_Mf1​,…,fM​ is evaluated at fixed points Z1,…,ZnZ_1,\dots,Z_nZ1​,…,Zn​. This gives the design matrix X=(fj(Zi))∈Rn×MX=(f_j(Z_i))\in\mathbb R^{n\times M}X=(fj​(Zi​))∈Rn×M and, for an unknown regression function fff, the vector f=(f(Z1),…,f(Zn))⊤f=(f(Z_1),\dots,f(Z_n))^\topf=(f(Z1​),…,f(Zn​))⊤. The observations are

y=f+W,W1,…,Wn independent N(0,σ2), σ>0.y=f+W,\qquad W_1,\dots,W_n\ \text{independent}\ \mathcal N(0,\sigma^2),\ \sigma>0 .y=f+W,W1​,…,Wn​ independent N(0,σ2), σ>0.

Nothing is assumed about fff. For v∈Rnv\in\mathbb R^nv∈Rn the empirical norm is ∥v∥n=(1n∑ivi2)1/2\|v\|_n=(\frac1n\sum_iv_i^2)^{1/2}∥v∥n​=(n1​∑i​vi2​)1/2, and for β∈RM\beta\in\mathbb R^Mβ∈RM we write fβ=Xβf_\beta=X\betafβ​=Xβ. The column norms ∥fj∥n\|f_j\|_n∥fj​∥n​ are assumed nonzero, with fmax⁡=max⁡j∥fj∥nf_{\max}=\max_j\|f_j\|_nfmax​=maxj​∥fj​∥n​ and fmin⁡=min⁡j∥fj∥nf_{\min}=\min_j\|f_j\|_nfmin​=minj​∥fj​∥n​. The support of β\betaβ is J(β)={j:βj≠0}J(\beta)=\{j:\beta_j\neq0\}J(β)={j:βj​=0} and its sparsity is M(β)=∣J(β)∣\mathcal M(\beta)=|J(\beta)|M(β)=∣J(β)∣.

The Lasso β^L\hat\beta_Lβ^​L​ is any minimiser of

1n∑i=1n(yi−(Xβ)i)2+2r∑j=1M∥fj∥n∣βj∣,r=Aσlog⁡Mn, A>22,\frac1n\sum_{i=1}^n\big(y_i-(X\beta)_i\big)^2+2r\sum_{j=1}^M\|f_j\|_n|\beta_j|,\qquad r=A\sigma\sqrt{\frac{\log M}{n}},\ A>2\sqrt2,n1​i=1∑n​(yi​−(Xβ)i​)2+2rj=1∑M​∥fj​∥n​∣βj​∣,r=AσnlogM​​, A>22​,

and f^L=Xβ^L\hat f_L=X\hat\beta_Lf^​L​=Xβ^​L​.

Assumption RE(s,c0)(s,c_0)(s,c0​) holds with constant κ>0\kappa>0κ>0 if, for every J0⊆{1,…,M}J_0\subseteq\{1,\dots,M\}J0​⊆{1,…,M} with ∣J0∣≤s|J_0|\le s∣J0​∣≤s and every δ≠0\delta\neq0δ=0 with ∣δJ0c∣1≤c0∣δJ0∣1|\delta_{J_0^c}|_1\le c_0|\delta_{J_0}|_1∣δJ0c​​∣1​≤c0​∣δJ0​​∣1​,

κn ∣δJ0∣2≤∣Xδ∣2.\kappa\sqrt n\,|\delta_{J_0}|_2\le|X\delta|_2 .κn​∣δJ0​​∣2​≤∣Xδ∣2​.

The paper's κ(s,c0)\kappa(s,c_0)κ(s,c0​) is the largest such constant.

Formalization targets

Goal: Theorem 6.1

Fix ε>0\varepsilon>0ε>0, n≥1n\ge1n≥1, M≥2M\ge2M≥2, 1≤s≤M1\le s\le M1≤s≤M, and let RE(s,(3+4/ε)fmax⁡/fmin⁡)(s,(3+4/\varepsilon)f_{\max}/f_{\min})(s,(3+4/ε)fmax​/fmin​) hold with constant κ\kappaκ. With probability at least 1−M1−A2/81-M^{1-A^2/8}1−M1−A2/8, every Lasso solution satisfies, simultaneously for all β\betaβ with M(β)≤s\mathcal M(\beta)\le sM(β)≤s,

∥f^L−f∥n2≤(1+ε){∥fβ−f∥n2+C(ε)fmax⁡2A2σ2κ2 M(β)log⁡Mn},C(ε)=4(2+ε)2ε(1+ε).\|\hat f_L-f\|_n^2\le(1+\varepsilon)\Big\{\|f_\beta-f\|_n^2+C(\varepsilon)\frac{f_{\max}^2A^2\sigma^2}{\kappa^2}\,\frac{\mathcal M(\beta)\log M}{n}\Big\},\qquad C(\varepsilon)=\frac{4(2+\varepsilon)^2}{\varepsilon(1+\varepsilon)} .∥f^​L​−f∥n2​≤(1+ε){∥fβ​−f∥n2​+C(ε)κ2fmax2​A2σ2​nM(β)logM​},C(ε)=ε(1+ε)4(2+ε)2​.

Milestones

  1. (B.4): the noise event A=⋂j{2∣Vj∣≤r∥fj∥n}\mathcal A=\bigcap_j\{2|V_j|\le r\|f_j\|_n\}A=⋂j​{2∣Vj​∣≤r∥fj​∥n​}, with Vj=n−1∑iXijWiV_j=n^{-1}\sum_iX_{ij}W_iVj​=n−1∑i​Xij​Wi​, satisfies P(Ac)≤M1−A2/8P(\mathcal A^c)\le M^{1-A^2/8}P(Ac)≤M1−A2/8.
  2. (B.1) on A\mathcal AA: for every Lasso solution and every β\betaβ,
∥f^L−f∥n2+r∑j∥fj∥n∣β^j−βj∣≤∥fβ−f∥n2+4r∑j∈J(β)∥fj∥n∣β^j−βj∣.\|\hat f_L-f\|_n^2+r\sum_j\|f_j\|_n|\hat\beta_j-\beta_j|\le\|f_\beta-f\|_n^2+4r\sum_{j\in J(\beta)}\|f_j\|_n|\hat\beta_j-\beta_j| .∥f^​L​−f∥n2​+rj∑​∥fj​∥n​∣β^​j​−βj​∣≤∥fβ​−f∥n2​+4rj∈J(β)∑​∥fj​∥n​∣β^​j​−βj​∣.
  1. Lemma B.1: the same inequality with probability at least 1−M1−A2/81-M^{1-A^2/8}1−M1−A2/8.
  2. Cone step: in the case ε∥fβ−f∥n2<4r∑J(β)∥fj∥n∣β^j−βj∣\varepsilon\|f_\beta-f\|_n^2<4r\sum_{J(\beta)}\|f_j\|_n|\hat\beta_j-\beta_j|ε∥fβ​−f∥n2​<4r∑J(β)​∥fj​∥n​∣β^​j​−βj​∣, the difference β^L−β\hat\beta_L-\betaβ^​L​−β lies in the cone with constant (3+4/ε)fmax⁡/fmin⁡(3+4/\varepsilon)f_{\max}/f_{\min}(3+4/ε)fmax​/fmin​ at J(β)J(\beta)J(β).
  3. Inequality before decoupling: ∥f^L−f∥n2≤∥fβ−f∥n2+4rfmax⁡κ−1M(β) (∥f^L−f∥n+∥fβ−f∥n)\|\hat f_L-f\|_n^2\le\|f_\beta-f\|_n^2+4rf_{\max}\kappa^{-1}\sqrt{\mathcal M(\beta)}\,(\|\hat f_L-f\|_n+\|f_\beta-f\|_n)∥f^​L​−f∥n2​≤∥fβ​−f∥n2​+4rfmax​κ−1M(β)​(∥f^​L​−f∥n​+∥fβ​−f∥n​).
  4. Decoupled bound: ∥f^L−f∥n2≤b+1b−1∥fβ−f∥n2+8b2fmax⁡2(b−1)κ2r2M(β)\|\hat f_L-f\|_n^2\le\frac{b+1}{b-1}\|f_\beta-f\|_n^2+\frac{8b^2f_{\max}^2}{(b-1)\kappa^2}r^2\mathcal M(\beta)∥f^​L​−f∥n2​≤b−1b+1​∥fβ​−f∥n2​+(b−1)κ28b2fmax2​​r2M(β) for all b>1b>1b>1.
  5. Corollary 6.2: the same oracle inequality with γ\gammaγ in place of κ\kappaκ and no global RE assumption. The infimum runs over those β\betaβ with M(β)≤s\mathcal M(\beta)\le sM(β)≤s whose support alone satisfies the restricted eigenvalue inequality with constant γ\gammaγ.

Significance

The theorem says that, up to the factor 1+ε1+\varepsilon1+ε and a remainder of order M(β)log⁡M/n\mathcal M(\beta)\log M/nM(β)logM/n, the Lasso predicts as well as the best sss-sparse linear combination of the dictionary. This is the case even when fff is not sparse and not in the span of the dictionary. The remainder is the parametric rate for M(β)\mathcal M(\beta)M(β) parameters, inflated by log⁡M\log MlogM and by the ill-posedness factor fmax⁡2/κ2f_{\max}^2/\kappa^2fmax2​/κ2. Together with Theorem 5.1 of the same paper (mission II of this series), it shows that the Lasso and the Dantzig selector are within the same distance of the sparse oracle. The oracle inequality is used in aggregation, in model selection, and as a black box in later sparse-estimation papers.

The result is proved in the paper. It has not been formalized: at the time of writing, no Lasso oracle inequality and no probabilistic Lasso bound exist on Prove2Me or in Mathlib. What this mission contributes is a machine-checked proof of the paper's Theorem 6.1 with an explicit constant C(ε)C(\varepsilon)C(ε). The paper leaves C(ε)C(\varepsilon)C(ε) unspecified, and its proof fixes the value used here. The mission also formalizes the Gaussian-tail step (B.4) and the deterministic basic inequality (B.1), both of which are shared with the paper's other Lasso results.

Difficulty

There is no sparse truth, so the usual argument does not apply. That argument places the error β^L−β∗\hat\beta_L-\beta^*β^​L​−β∗ in the RE cone and reads off a rate. Here the competitor β\betaβ is arbitrary, and the approximation error ∥fβ−f∥n\|f_\beta-f\|_n∥fβ​−f∥n​ can dominate the penalty terms, in which case the error is not in the cone. The RE assumption can be used only where the error does lie in a cone, and the cone constant available there depends on ε\varepsilonε and on the column-norm ratio fmax⁡/fmin⁡f_{\max}/f_{\min}fmax​/fmin​, because the penalty is weighted while RE is stated for unweighted vectors. What RE then yields is an inequality quadratic in ∥f^L−f∥n\|\hat f_L-f\|_n∥f^​L​−f∥n​ with a cross term, not the (1+ε)(1+\varepsilon)(1+ε) form directly, and the constant C(ε)C(\varepsilon)C(ε) is determined by how that cross term is absorbed. On the probabilistic side, the whole argument must run on one event of probability at least 1−M1−A2/81-M^{1-A^2/8}1−M1−A2/8. That event may depend neither on β\betaβ nor on the choice of minimiser. The Lasso need not have a unique solution.

Formalization scope

  • The dictionary enters only through X∈Rn×MX\in\mathbb R^{n\times M}X∈Rn×M (Matrix (Fin n) (Fin M) ℝ) and the target only through f∈Rnf\in\mathbb R^nf∈Rn, which is arbitrary. The noise is a family W : Fin n → Ω → ℝ of measurable, independent random variables, each with law gaussianReal 0 σ², and σ>0\sigma>0σ>0.
  • The Lasso is an argmin predicate, and every statement is made for every minimiser. "With probability at least ppp" means a measurable event EEE with P(E)≥pP(E)\ge pP(E)≥p, chosen before the competitor β\betaβ and the minimiser.
  • RE is stated through a witness κ>0\kappa>0κ>0. Since κ(s,c0)\kappa(s,c_0)κ(s,c0​) is attained and every bound decreases in κ\kappaκ, this is equivalent to the paper's form, and it avoids a real infimum over an empty set.
  • The infimum over {β:M(β)≤s}\{\beta:\mathcal M(\beta)\le s\}{β:M(β)≤s} is written as "for every such β\betaβ". This is equivalent, because the set contains β=0\beta=0β=0 and the bracket is nonnegative.
  • Correction/strengthening. The printed theorem has an unspecified C(ε)>0C(\varepsilon)>0C(ε)>0. The goal instead uses the value C(ε)=4(2+ε)2/(ε(1+ε))C(\varepsilon)=4(2+\varepsilon)^2/(\varepsilon(1+\varepsilon))C(ε)=4(2+ε)2/(ε(1+ε)) that the proof yields with b=1+2/εb=1+2/\varepsilonb=1+2/ε, and this implies the printed statement. Corollary 6.2 uses the same explicit constant.
  • The standing assumptions of Section 2 (M≥2M\ge2M≥2 and every ∥fj∥n≠0\|f_j\|_n\neq0∥fj​∥n​=0) are hypotheses of every theorem.
  • Some formalizations would make the result trivial, and they are excluded here. The noise must be exactly i.i.d. N(0,σ2)\mathcal N(0,\sigma^2)N(0,σ2) with σ>0\sigma>0σ>0 and must enter only through y=f+Wy=f+Wy=f+W. The target fff must not be restricted to Xβ∗X\beta^*Xβ∗. The event must be measurable. The constant must depend on ε\varepsilonε alone.
  • A single definition file provides the empirical norms, fmax⁡f_{\max}fmax​, fmin⁡f_{\min}fmin​, support and sparsity, the weighted Lasso, RE and its single-set version (the family Λs,γ,c0\Lambda_{s,\gamma,c_0}Λs,γ,c0​​ of Corollary 6.2), the Gaussian noise model and the event A\mathcal AA. The same objects appear in the other missions of this series. Gaussian-tail and union-bound lemmas proved along the way are reusable, and contributions of such lemmas are welcome.

Selected references

  • P. J. Bickel, Y. Ritov, A. B. Tsybakov, Simultaneous analysis of Lasso and Dantzig selector, Ann. Statist. 37(4), 1705–1732, 2009. Cited version: arXiv:0801.1095v3; DOI 10.1214/08-AOS620.
  • F. Bunea, A. B. Tsybakov, M. H. Wegkamp, Sparsity oracle inequalities for the Lasso, Electron. J. Statist. 1, 169–194, 2007. DOI 10.1214/07-EJS008.
  • F. Bunea, A. B. Tsybakov, M. H. Wegkamp, Aggregation for Gaussian regression, Ann. Statist. 35(4), 1674–1697, 2007. DOI 10.1214/009053606000001587.
  • R. Tibshirani, Regression shrinkage and selection via the lasso, J. R. Stat. Soc. B 58(1), 267–288, 1996. DOI 10.1111/j.2517-6161.1996.tb02080.x.
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CombinatoricsOperations ResearchOptimization+1·Captain: mikedeng1

Maximizing Non-Monotone Submodular Functions II: A Nonadaptive Algorithm Achieves 1/3 of the OptimumResearch Paper

Motivation

Maximizing a submodular set function without constraints contains Max Cut, Max Directed Cut, maximum facility location and several graph and hypergraph cut problems as special cases, and it appears in operations research wherever a value exhibits diminishing returns but is not monotone (profit that combines coverage with a cost, for example). These problems are NP-hard, so the question is which fraction of the optimum an efficient algorithm can guarantee when the function is accessible only through a value oracle that returns f(S)f(S)f(S) for a queried set SSS.

Feige, Mirrokni and Vondrák (SIAM J. Comput. 40(4), 2011) gave the first constant-factor approximation algorithms for maximizing a general nonnegative submodular function. The simplest of them returns a uniformly random set and achieves 1/41/41/4 of the optimum; this mission is about the next one, a nonadaptive algorithm: it decides all of its oracle queries before seeing any answer, then computes a set from the answers. Such an algorithm can be run in one round of parallel queries. The paper shows that this restricted access already beats 1/41/41/4 and reaches 1/31/31/3.

Timeline. For Max Directed Cut, a random cut achieves 1/41/41/4. Feige, Mirrokni and Vondrák (FOCS 2007; journal version 2011) proved 1/41/41/4 for a random set and 1/31/31/3 nonadaptively for general nonnegative submodular functions, 1/31/31/3 and 2/52/52/5 by adaptive local search, and that 1/21/21/2 requires exponentially many queries. Buchbinder, Feldman, Naor and Schwartz (FOCS 2012, SIAM J. Comput. 2015) later reached the optimal 1/21/21/2 with a randomized double-greedy algorithm.

Setting

Let XXX be a finite ground set with n=∣X∣≥1n = |X| \ge 1n=∣X∣≥1 elements. A function f:2X→Rf : 2^X \to \mathbb{R}f:2X→R is submodular (Definition 1.1) if

f(S∪T)+f(S∩T)≤f(S)+f(T)for all S,T⊆X.f(S \cup T) + f(S \cap T) \le f(S) + f(T) \qquad \text{for all } S, T \subseteq X .f(S∪T)+f(S∩T)≤f(S)+f(T)for all S,T⊆X.

Throughout, fff is nonnegative, the paper's standing assumption, and OPT=max⁡S⊆Xf(S)OPT = \max_{S \subseteq X} f(S)OPT=maxS⊆X​f(S).

For p∈[0,1]p \in [0,1]p∈[0,1], X(p)X(p)X(p) denotes the random subset of XXX containing each element independently with probability ppp; R=X(1/2)R = X(1/2)R=X(1/2) is a uniformly random subset. For a set A⊆XA \subseteq XA⊆X, A(p)A(p)A(p) is the analogous random subset of AAA. The averaged marginal value of an element (Definition 2.4) is

ω(x)=E[f(R∪{x})−f(R∖{x})],R=X(1/2).\omega(x) = \mathbf{E}\big[f(R \cup \{x\}) - f(R \setminus \{x\})\big], \qquad R = X(1/2).ω(x)=E[f(R∪{x})−f(R∖{x})],R=X(1/2).

Algorithm NA (p. 1139):

  1. by random sampling, compute estimates ω~(x)\tilde\omega(x)ω~(x) with ∣ω~(x)−ω(x)∣<OPT/n2|\tilde\omega(x) - \omega(x)| < OPT/n^2∣ω~(x)−ω(x)∣<OPT/n2 for all xxx, with high probability;
  2. independently, sample R=X(1/2)R = X(1/2)R=X(1/2);
  3. with probability 8/98/98/9 return RRR;
  4. with probability 1/91/91/9 return A={x∈X:ω~(x)>0}A = \{x \in X : \tilde\omega(x) > 0\}A={x∈X:ω~(x)>0}.

Given the estimates, the expected value NA returns is 89 E[f(X(1/2))]+19f(A)\tfrac89\,\mathbf{E}[f(X(1/2))] + \tfrac19 f(A)98​E[f(X(1/2))]+91​f(A).

Formalization targets

Goal: Theorem 2.6 in the explicit form of its proof

For every nonnegative submodular fff and every estimate ω~\tilde\omegaω~ with ∣ω~(x)−ω(x)∣<OPT/n2|\tilde\omega(x) - \omega(x)| < OPT/n^2∣ω~(x)−ω(x)∣<OPT/n2 for all xxx,

89 E[f(X(1/2))]+19 f({x:ω~(x)>0}) ≥ (13−49n) OPT.\frac89\,\mathbf{E}[f(X(1/2))] + \frac19\, f\big(\{x : \tilde\omega(x) > 0\}\big) \ \ge\ \Big(\frac13 - \frac{4}{9n}\Big)\, OPT .98​E[f(X(1/2))]+91​f({x:ω~(x)>0}) ≥ (31​−9n4​)OPT.

The printed theorem says "at least (1/3−o(1)) OPT(1/3 - o(1))\,OPT(1/3−o(1))OPT"; the term 4/(9n)4/(9n)4/(9n) is what the proof establishes (p. 1140, last display).

Milestones

  1. Lemma 2.2: E[g(A(p))]≥(1−p) g(∅)+p g(A)\mathbf{E}[g(A(p))] \ge (1-p)\,g(\emptyset) + p\,g(A)E[g(A(p))]≥(1−p)g(∅)+pg(A) for submodular ggg.
  2. Lemma 2.3: E[f(A(p)∪B(q))]≥(1−p)(1−q)f(∅)+p(1−q)f(A)+(1−p)qf(B)+pqf(A∪B)\mathbf{E}[f(A(p) \cup B(q))] \ge (1-p)(1-q) f(\emptyset) + p(1-q) f(A) + (1-p)q f(B) + pq f(A \cup B)E[f(A(p)∪B(q))]≥(1−p)(1−q)f(∅)+p(1−q)f(A)+(1−p)qf(B)+pqf(A∪B) for independently sampled, possibly overlapping A,BA, BA,B.
  3. For B=X∖AB = X \setminus AB=X∖A and any CCC: f(A)+f(B∩C)+f(B∪C)≥f(C)f(A) + f(B \cap C) + f(B \cup C) \ge f(C)f(A)+f(B∩C)+f(B∪C)≥f(C).
  4. If ω≤OPT/n2\omega \le OPT/n^2ω≤OPT/n2 on BBB: E[f(R∪(B∩C))]≤E[f(R)]+OPT/(2n)\mathbf{E}[f(R \cup (B \cap C))] \le \mathbf{E}[f(R)] + OPT/(2n)E[f(R∪(B∩C))]≤E[f(R)]+OPT/(2n).
  5. E[f(R∪(B∩C))]≥14f(B∩C)+14f(C)\mathbf{E}[f(R \cup (B \cap C))] \ge \tfrac14 f(B \cap C) + \tfrac14 f(C)E[f(R∪(B∩C))]≥41​f(B∩C)+41​f(C).
  6. If ω≥−OPT/n2\omega \ge -OPT/n^2ω≥−OPT/n2 on AAA and B=X∖AB = X \setminus AB=X∖A: E[f(R)]≥E[f(R∩(B∪C))]−OPT/(2n)\mathbf{E}[f(R)] \ge \mathbf{E}[f(R \cap (B \cup C))] - OPT/(2n)E[f(R)]≥E[f(R∩(B∪C))]−OPT/(2n).
  7. E[f(R∩(B∪C))]≥14f(C)+14f(B∪C)\mathbf{E}[f(R \cap (B \cup C))] \ge \tfrac14 f(C) + \tfrac14 f(B \cup C)E[f(R∩(B∪C))]≥41​f(C)+41​f(B∪C).

Milestones 3–7 are the displayed steps of the proof of Theorem 2.6, stated for arbitrary sets where the page's argument does not use the optimality of CCC.

Significance

The theorem shows that nonadaptive access, a fixed batch of polynomially many value queries followed by a computation, suffices for a 1/31/31/3-approximation of unconstrained nonnegative submodular maximization, strictly better than the 1/41/41/4 of any algorithm that must return one of its queried sets (the paper shows 1/41/41/4 is optimal in that class, §4.2). The quantity ω\omegaω generalizes the in-degree/out-degree test for Max Directed Cut to arbitrary submodular functions, and Lemmas 2.2 and 2.3 are general sampling inequalities for submodular functions that the paper reuses for its adaptive smooth local search.

Formalizing it produces machine-checked versions of Lemmas 2.2 and 2.3 as statements about exact finite averages, a reusable expectation operator on product-distributed random subsets, and a checked version of the 1/31/31/3 argument with its explicit error term. The result is proved in the paper; to our knowledge none of it has been formalized in a proof assistant.

Difficulty

The two regimes the proof separates, "AAA is already good" and "one of f(B∩C)f(B \cap C)f(B∩C), f(B∪C)f(B \cup C)f(B∪C) is large", must be tied to the value of a uniformly random set, whereas the elements of AAA and BBB are chosen from estimated averages, not from the optimal set CCC. The natural attempt, comparing f(R)f(R)f(R) with f(C)f(C)f(C) element by element, fails because fff is not monotone: adding elements of CCC to RRR can decrease the value. The accuracy OPT/n2OPT/n^2OPT/n2 of the estimates must also be propagated through a sum over up to nnn elements, which is where the error term 4/(9n)4/(9n)4/(9n) comes from. The sampling lemmas require handling expectations over pairs of independent random subsets of possibly overlapping sets.

Formalization scope

  • The ground set is a Fintype X with DecidableEq, assumed Nonempty, so n=∣X∣≥1n = |X| \ge 1n=∣X∣≥1 and the divisions by nnn and n2n^2n2 are genuine; sets are Finset X; fff is real valued with nonnegativity ∀S, 0≤f(S)\forall S,\ 0 \le f(S)∀S, 0≤f(S) as an explicit hypothesis. Lemmas 2.2 and 2.3 are stated for real fff with no sign condition, as printed.
  • OPTOPTOPT is Finset.univ.sup' _ f, the true maximum over all subsets.
  • Every expectation over an independently sampled random set is the exact finite sum F(x)=∑Sf(S)∏i∈Sxi∏i∉S(1−xi)F(x) = \sum_{S} f(S)\prod_{i \in S} x_i \prod_{i \notin S}(1 - x_i)F(x)=∑S​f(S)∏i∈S​xi​∏i∈/S​(1−xi​); X(1/2)X(1/2)X(1/2) is x≡1/2x \equiv 1/2x≡1/2. Expectations over two independent samples (Lemma 2.3) are the corresponding iterated sums. Sampling probabilities carry the hypotheses 0≤p,q≤10 \le p, q \le 10≤p,q≤1.
  • The goal quantifies over every estimate ω~\tilde\omegaω~ satisfying the printed accuracy ∣ω~(x)−ω(x)∣<OPT/n2|\tilde\omega(x) - \omega(x)| < OPT/n^2∣ω~(x)−ω(x)∣<OPT/n2 (strict), with A={x:ω~(x)>0}A = \{x : \tilde\omega(x) > 0\}A={x:ω~(x)>0} (strict). The "with high probability" of NA's first step is this hypothesis; the sampling estimate that makes it likely (Lemma 2.5, a Chernoff-bound argument) is not part of the goal. When OPT=0OPT = 0OPT=0 the hypothesis is unsatisfiable, but then f≡0f \equiv 0f≡0 and nothing is lost.
  • The left-hand side is exactly the mixture 89 E[f(X(1/2))]+19f(A)\tfrac89\,\mathbf{E}[f(X(1/2))] + \tfrac19 f(A)98​E[f(X(1/2))]+91​f(A). A statement with the maximum of the two terms, with exact values ω~=ω\tilde\omega = \omegaω~=ω, or with the o(1)o(1)o(1) replaced by an existential constant or a limit, is a different (and weaker or stronger) theorem and does not close this mission.
  • Printed slip corrected: in the second display on p. 1140, the "===" before −∣A∖C∣ OPT/(2n2)-|A \setminus C|\,OPT/(2n^2)−∣A∖C∣OPT/(2n2) should be "≥\ge≥"; milestone 6 states the inequality.

Welcome contributions: proofs of Lemmas 2.2 and 2.3 (reusable for mission IV of this series), the identity E[f(R∪{x})−f(R)]=12ω(x)\mathbf{E}[f(R \cup \{x\}) - f(R)] = \tfrac12\omega(x)E[f(R∪{x})−f(R)]=21​ω(x), and general lemmas about the operator FFF (splitting a uniform random set along a partition).

Selected references

  • U. Feige, V. S. Mirrokni, J. Vondrák, Maximizing Non-Monotone Submodular Functions, SIAM J. Comput. 40(4):1133–1153, 2011. https://doi.org/10.1137/090779346
  • N. Buchbinder, M. Feldman, J. Naor, R. Schwartz, A Tight Linear Time (1/2)-Approximation for Unconstrained Submodular Maximization, SIAM J. Comput. 44(5):1384–1402, 2015. https://doi.org/10.1137/130929205
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Graph TheoryTheoretical Computer Science·Captain: mikedeng1

A Simple Parallel Algorithm for the Maximal Independent Set Problem I: One Round of Monte Carlo Algorithm A or B Removes an Expected Eighth of the EdgesResearch Paper

Motivation

A maximal independent set (MIS) of a graph is a set of vertices, no two adjacent, to which no further vertex can be added. Sequentially an MIS is found greedily in linear time, but the greedy scan is inherently serial. Whether an MIS can be found fast in parallel was a central question of parallel complexity in the early 1980s: an MIS algorithm is a subroutine for maximal matching, vertex colouring with Δ+1\Delta + 1Δ+1 colours, and many other symmetry-breaking tasks.

  • Karp and Wigderson (STOC 1984; J. ACM 32, 1985) gave the first fast parallel algorithms for MIS: a randomized one and a deterministic one, both with running time O((log⁡n)4)O((\log n)^4)O((logn)4), placing MIS in NC4^44.
  • Luby (SIAM J. Comput. 15(4), 1986) gave the Monte Carlo algorithms analysed in this mission, together with a derandomization that yields a deterministic EREW P-RAM algorithm with O((log⁡n)2)O((\log n)^2)O((logn)2) running time, placing MIS in NC2^22. Alon, Babai and Itai (J. Algorithms 7, 1986) independently found a Monte Carlo algorithm similar to Algorithm B.

Luby's algorithm is the standard textbook example of a randomized parallel algorithm and remains the basis of distributed MIS algorithms in the LOCAL model. Its analysis rests on one statement, Theorem 1 of the paper, which this mission formalizes.

Setting

All algorithms in the paper run the same loop on a finite simple undirected input graph G=(V,E)G = (V, E)G=(V,E) with n=∣V∣n = |V|n=∣V∣ vertices. The current graph is G′=(V′,E′)G' = (V', E')G′=(V′,E′), initially GGG. For W⊆V′W \subseteq V'W⊆V′ the neighbourhood is N(W)={i∈V′:∃j∈W, (i,j)∈E′}N(W) = \{ i \in V' : \exists j \in W,\ (i,j) \in E' \}N(W)={i∈V′:∃j∈W, (i,j)∈E′}. One execution of the loop body selects a set I′⊆V′I' \subseteq V'I′⊆V′ independent in G′G'G′, adds it to the output, and replaces G′G'G′ by the subgraph induced on V′−(I′∪N(I′))V' - (I' \cup N(I'))V′−(I′∪N(I′)). The loop stops when G′G'G′ is empty.

For i∈V′i \in V'i∈V′ write adj(i)\mathrm{adj}(i)adj(i) for its neighbours and d(i)=∣adj(i)∣d(i) = |\mathrm{adj}(i)|d(i)=∣adj(i)∣ for its degree. The two Monte Carlo select steps are:

  • Algorithm A. Every vertex draws a priority π(i)\pi(i)π(i) uniformly from {1,…,n4}\{1, \dots, n^4\}{1,…,n4}, independently. A vertex enters I′I'I′ when its priority is strictly smaller than the priority of each of its neighbours.
  • Algorithm B. Every vertex independently sets coin(i)=1\mathrm{coin}(i) = 1coin(i)=1 with probability 1/(2d(i))1/(2d(i))1/(2d(i)), or always if d(i)=0d(i) = 0d(i)=0. Let XXX be the set of vertices with coin 111. A vertex of XXX enters I′I'I′ when each of its neighbours in XXX has strictly smaller degree.

Let YkY_kYk​ be the number of edges of E′E'E′ before the kkk-th execution of the loop body. The number of edges eliminated by that execution is Yk−Yk+1Y_k - Y_{k+1}Yk​−Yk+1​: exactly the edges of G′G'G′ with at least one endpoint in I′∪N(I′)I' \cup N(I')I′∪N(I′). For d(i)≥1d(i) \ge 1d(i)≥1 the paper uses the weight sum(i)=∑j∈adj(i)1/d(j)\mathrm{sum}(i) = \sum_{j \in \mathrm{adj}(i)} 1/d(j)sum(i)=∑j∈adj(i)​1/d(j).

Formalization targets

Goal: Theorem 1

For the current graph G′G'G′ and n≥max⁡(1,∣V′∣)n \ge \max(1, |V'|)n≥max(1,∣V′∣),

E[YkA−Yk+1A]≥18 YkA−116,E[YkB−Yk+1B]≥18 YkB.E\big[Y_k^A - Y_{k+1}^A\big] \ge \tfrac18\, Y_k^A - \tfrac1{16}, \qquad E\big[Y_k^B - Y_{k+1}^B\big] \ge \tfrac18\, Y_k^B .E[YkA​−Yk+1A​]≥81​YkA​−161​,E[YkB​−Yk+1B​]≥81​YkB​.

The constants are those printed in the paper. No connectivity, degree or size condition on G′G'G′ is assumed.

Milestones

  1. §3.2, p. 1040. The priorities of Algorithm A are pairwise distinct with probability at least 1−1/(2n2)1 - 1/(2n^2)1−1/(2n2).
  2. TECHNICAL LEMMA, p. 1043. For p1≥⋯≥pn≥0p_1 \ge \dots \ge p_n \ge 0p1​≥⋯≥pn​≥0 and c>0c > 0c>0, with αl=∑j≤lpj\alpha_l = \sum_{j \le l} p_jαl​=∑j≤l​pj​, βl=∑j<k≤lpjpk\beta_l = \sum_{j < k \le l} p_j p_kβl​=∑j<k≤l​pj​pk​ and γl=αl−cβl\gamma_l = \alpha_l - c\beta_lγl​=αl​−cβl​,
max⁡1≤l≤nγl≥12min⁡{αn,1/c}.\max_{1 \le l \le n} \gamma_l \ge \tfrac12 \min\{\alpha_n, 1/c\}.1≤l≤nmax​γl​≥21​min{αn​,1/c}.
  1. LEMMA A (Beame), p. 1041. For Algorithm A and d(i)≥1d(i) \ge 1d(i)≥1,
Pr⁡[i∈N(I′)]≥[14min⁡{sum(i),1}](1−12n2).\Pr[i \in N(I')] \ge \big[\tfrac14\min\{\mathrm{sum}(i), 1\}\big]\big(1 - \tfrac{1}{2n^2}\big).Pr[i∈N(I′)]≥[41​min{sum(i),1}](1−2n21​).
  1. LEMMA B, p. 1042. For Algorithm B and d(i)≥1d(i) \ge 1d(i)≥1,
Pr⁡[i∈N(I′)]≥14min⁡{sum(i)/2,1}.\Pr[i \in N(I')] \ge \tfrac14 \min\{\mathrm{sum}(i)/2, 1\}.Pr[i∈N(I′)]≥41​min{sum(i)/2,1}.
  1. Proof of Theorem 1, first display, p. 1041. For any random choice of I′I'I′,
E[Yk−Yk+1]≥12∑id(i)Pr⁡[i∈I′∪N(I′)]≥12∑id(i)Pr⁡[i∈N(I′)].E[Y_k - Y_{k+1}] \ge \tfrac12 \sum_i d(i)\Pr[i \in I' \cup N(I')] \ge \tfrac12 \sum_i d(i) \Pr[i \in N(I')].E[Yk​−Yk+1​]≥21​i∑​d(i)Pr[i∈I′∪N(I′)]≥21​i∑​d(i)Pr[i∈N(I′)].
  1. Proof of Theorem 1, closing chain, p. 1041.
12∑sum(i)≤2d(i) sum(i)+∑sum(i)>2d(i)≥∣E′∣.\tfrac12 \sum_{\mathrm{sum}(i) \le 2} d(i)\,\mathrm{sum}(i) + \sum_{\mathrm{sum}(i) > 2} d(i) \ge |E'|.21​sum(i)≤2∑​d(i)sum(i)+sum(i)>2∑​d(i)≥∣E′∣.

Significance

Theorem 1 says that each round removes, in expectation, a constant fraction of the remaining edges. From it the paper derives that the expected number of rounds of either algorithm is O(log⁡n)O(\log n)O(logn), and hence that MIS has a Monte Carlo algorithm running in O(log⁡n)O(\log n)O(logn) expected time on a CRCW P-RAM and O((log⁡n)2)O((\log n)^2)O((logn)2) on an EREW P-RAM with O(m)O(m)O(m) processors. Algorithm B and the proof of part (2) are also the basis of the paper's deterministic algorithm: the analysis of Lemma B uses only pairwise independence of the coins. The companion mission (A Simple Parallel Algorithm for the Maximal Independent Set Problem II) formalizes that derandomization and reuses the statements of milestones 2, 5 and 6.

The results are proved in the paper and reproduced in textbooks (e.g. Motwani and Raghavan, Randomized Algorithms), but not formalized: no statement of Theorem 1, Lemma A or Lemma B was found on the platform. A formal proof would make the per-round analysis of a standard parallel randomized algorithm reusable. That includes the degree-weighted counting of milestone 6 and the Bonferroni-type bound of the Technical Lemma, both of which recur in later analyses of distributed symmetry breaking.

Difficulty

The obvious argument tries to show that a fixed vertex enters I′I'I′ with good probability. That fails, because a high-degree vertex rarely wins against all its neighbours. The analysis instead bounds the probability that a vertex is removed, i.e. lands in N(I′)N(I')N(I′). This event is a union over neighbours of dependent events, so the first Bonferroni inequality alone does not give a lower bound: the pairwise-intersection terms must be controlled. The union bound can also be very lossy when sum(i)\mathrm{sum}(i)sum(i) is large, which is why the conclusion involves a minimum with a constant.

A second obstacle is the passage from vertices to edges: vertices of small sum(i)\mathrm{sum}(i)sum(i) can have high degree while contributing little probability. The per-vertex bounds therefore have to be summed with degree weights and redistributed over edges. For Algorithm A there is an additional complication: priorities from {1,…,n4}\{1, \dots, n^4\}{1,…,n4} can collide, so the argument about a uniformly random order holds only on the event that π\piπ is injective. That event appears as the factor 1−1/(2n2)1 - 1/(2n^2)1−1/(2n2).

Formalization scope

  • Graph. The current graph G′G'G′ is a SimpleGraph V on a finite type with decidable adjacency, and V′=VV' = VV′=V. The degree is SimpleGraph.degree, adj(i)\mathrm{adj}(i)adj(i) is neighborFinset, and Yk=∣E′∣Y_k = |E'|Yk​=∣E′∣ is edgeFinset.card.
  • Conditional form. Theorem 1 is stated for a fixed current graph G′G'G′, i.e. conditionally on the first k−1k - 1k−1 rounds, as in the paper's proof. The unconditional statement follows by averaging.
  • Input size. nnn is a parameter with 1≤n1 \le n1≤n and ∣V′∣≤n|V'| \le n∣V′∣≤n. It is not fixed to ∣V′∣|V'|∣V′∣, which would cover only the first round.
  • Select steps. Both endpoints' ALGEDGE runs are applied to every edge, since E′E'E′ contains each edge in both orientations. Hence Algorithm A keeps iii iff π(i)<π(j)\pi(i) < \pi(j)π(i)<π(j) for all neighbours jjj. Algorithm B keeps i∈Xi \in Xi∈X iff d(j)<d(i)d(j) < d(i)d(j)<d(i) for all neighbours j∈Xj \in Xj∈X. Algorithm B's I′I'I′ starts at XXX; the page leaves I′I'I′ uninitialized in §3.3, and Algorithm D's code (p. 1047) has I′←XI' \leftarrow XI′←X.
  • Laws. Probabilities and expectations are explicit finite sums: uniform over the (n4)∣V∣(n^4)^{|V|}(n4)∣V∣ priority vectors, and the product law over the 2∣V∣2^{|V|}2∣V∣ coin vectors. A coin of an isolated vertex is 111 with probability 111, as on the page.
  • Milestones. Milestone 5 is stated for an arbitrary finite distribution of I′I'I′, which contains both algorithms' laws. Milestone 6 divides out the common factor 18\tfrac1881​ of the printed chain.

Theorem 1 is false for arbitrary distributions of priorities or coins. A formalization that takes "Pr" as an unconstrained parameter, conditions on the event of interest, or replaces nnn by ∣V′∣|V'|∣V′∣ does not state the paper's theorem.

A complete development needs finite product probability spaces, inclusion–exclusion (Bonferroni) inequalities for finite unions, the symmetry of uniform priorities conditioned on injectivity, and degree-sum identities (SimpleGraph.sum_degrees_eq_twice_card_edges). The Technical Lemma and milestones 5 and 6 are reusable beyond this mission. Proofs of any milestone, and alternative proofs of Lemmas A and B, are welcome.

Selected references

  • M. Luby, A Simple Parallel Algorithm for the Maximal Independent Set Problem, SIAM J. Comput. 15(4):1036–1053, 1986. https://doi.org/10.1137/0215074
  • R. M. Karp and A. Wigderson, A Fast Parallel Algorithm for the Maximal Independent Set Problem, J. ACM 32(4):762–773, 1985. https://doi.org/10.1145/4221.4226
  • N. Alon, L. Babai and A. Itai, A Fast and Simple Randomized Parallel Algorithm for the Maximal Independent Set Problem, J. Algorithms 7(4):567–583, 1986. https://doi.org/10.1016/0196-6774(86)90019-2
  • R. Motwani and P. Raghavan, Randomized Algorithms, Cambridge University Press, 1995. https://doi.org/10.1017/CBO9780511814075
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CombinatoricsOperations ResearchOptimization+1·Captain: mikedeng1

Maximizing Non-Monotone Submodular Functions I: A Uniformly Random Set Achieves 1/4 of the Optimum, and 1/2 for Symmetric FunctionsResearch Paper

Motivation

Many combinatorial optimization problems ask for a subset of a finite ground set that maximizes a set function with diminishing returns: Max Cut and Max Directed Cut in graphs, facility location, maximum entropy sampling, and welfare problems in combinatorial auctions all fit this pattern. The common abstraction is the maximization of a submodular function, the discrete analogue of a concave function. Unlike the monotone case, where the objective only grows as elements are added, the non-monotone problem has no constraint at all and is still NP-hard, since Max Cut is a special case.

For Max Cut and Max Directed Cut, the simplest algorithm there is, putting every vertex on a side by an independent fair coin, already cuts half, respectively a quarter, of the optimum in expectation. Feige, Mirrokni and Vondrák (SIAM J. Comput. 40(4), 2011; extended abstract at FOCS 2007) showed that this is not a feature of cut functions: the same random choice achieves the same factors for every nonnegative submodular function, and for every symmetric one. This mission formalizes that result, Theorem 2.1 of the paper, together with the two sampling lemmas on which it rests. The paper's other results (a nonadaptive 1/3-approximation, deterministic and smoothed local search, and query lower bounds) are the subjects of companion missions in the same series.

Setting

Let XXX be a finite set with n=∣X∣n = |X|n=∣X∣ elements. A set function assigns a real number f(S)f(S)f(S) to every subset S⊆XS \subseteq XS⊆X. It is submodular if

f(S∪T)+f(S∩T)≤f(S)+f(T)for all S,T⊆X,f(S \cup T) + f(S \cap T) \le f(S) + f(T) \qquad \text{for all } S, T \subseteq X,f(S∪T)+f(S∩T)≤f(S)+f(T)for all S,T⊆X,

equivalently if the marginal value f(B∪{x})−f(B)f(B \cup \{x\}) - f(B)f(B∪{x})−f(B) of an element xxx does not increase as the set BBB grows. It is symmetric if f(X∖S)=f(S)f(X \setminus S) = f(S)f(X∖S)=f(S) for every S⊆XS \subseteq XS⊆X; the cut function of an undirected graph is the standard example. The optimum is

OPT=max⁡S⊆Xf(S).OPT = \max_{S \subseteq X} f(S).OPT=S⊆Xmax​f(S).

For p∈[0,1]p \in [0,1]p∈[0,1], X(p)X(p)X(p) denotes the random subset of XXX containing each element independently with probability ppp; similarly A(p)A(p)A(p) is the random subset of a fixed A⊆XA \subseteq XA⊆X. The Random Set Algorithm (RS) returns R=X(1/2)R = X(1/2)R=X(1/2), a uniformly random subset of XXX, without querying fff. Its expected value is the average of fff over all subsets,

E[f(R)]=F(12,…,12)=12n∑S⊆Xf(S),\mathbf{E}[f(R)] = F(\tfrac12, \dots, \tfrac12) = \frac{1}{2^n} \sum_{S \subseteq X} f(S),E[f(R)]=F(21​,…,21​)=2n1​S⊆X∑​f(S),

where F(x)=∑S⊆Xf(S)∏i∈Sxi∏i∉S(1−xi)F(x) = \sum_{S \subseteq X} f(S) \prod_{i \in S} x_i \prod_{i \notin S} (1 - x_i)F(x)=∑S⊆X​f(S)∏i∈S​xi​∏i∈/S​(1−xi​) is the multilinear extension of fff, the expectation of fff on a random set that includes element iii independently with probability xix_ixi​.

Formalization targets

Goal: Theorem 2.1

For every nonnegative submodular f:2X→R+f : 2^X \to \mathbb{R}_+f:2X→R+​,

E[f(X(1/2))]≥14 OPT,\mathbf{E}[f(X(1/2))] \ge \tfrac14\, OPT,E[f(X(1/2))]≥41​OPT,

and if fff is in addition symmetric,

E[f(X(1/2))]≥12 OPT.\mathbf{E}[f(X(1/2))] \ge \tfrac12\, OPT.E[f(X(1/2))]≥21​OPT.

Both parts form the goal, stated as one theorem. The constants 14\tfrac1441​ and 12\tfrac1221​ are exact, not asymptotic, and they are tight: the directed cut of a single arc attains 14\tfrac1441​, and the cut of a single edge attains 12\tfrac1221​.

Milestones

  1. Lemma 2.2. For submodular g:2X→Rg : 2^X \to \mathbb{R}g:2X→R, A⊆XA \subseteq XA⊆X and p∈[0,1]p \in [0,1]p∈[0,1],
E[g(A(p))]≥(1−p) g(∅)+p g(A).\mathbf{E}[g(A(p))] \ge (1-p)\, g(\emptyset) + p\, g(A).E[g(A(p))]≥(1−p)g(∅)+pg(A).
  1. Lemma 2.3. For submodular f:2X→Rf : 2^X \to \mathbb{R}f:2X→R, sets A,B⊆XA, B \subseteq XA,B⊆X that need not be disjoint, independent samples A(p)A(p)A(p), B(q)B(q)B(q), and p,q∈[0,1]p, q \in [0,1]p,q∈[0,1],
E[f(A(p)∪B(q))]≥(1−p)(1−q)f(∅)+p(1−q)f(A)+(1−p)qf(B)+pqf(A∪B).\mathbf{E}[f(A(p) \cup B(q))] \ge (1-p)(1-q) f(\emptyset) + p(1-q) f(A) + (1-p)q f(B) + pq f(A \cup B).E[f(A(p)∪B(q))]≥(1−p)(1−q)f(∅)+p(1−q)f(A)+(1−p)qf(B)+pqf(A∪B).
  1. The display in the proof of Theorem 2.1. For submodular f:2X→Rf : 2^X \to \mathbb{R}f:2X→R and every S⊆XS \subseteq XS⊆X, with Sˉ=X∖S\bar S = X \setminus SSˉ=X∖S,
E[f(X(1/2))]≥14f(∅)+14f(S)+14f(Sˉ)+14f(X).\mathbf{E}[f(X(1/2))] \ge \tfrac14 f(\emptyset) + \tfrac14 f(S) + \tfrac14 f(\bar S) + \tfrac14 f(X).E[f(X(1/2))]≥41​f(∅)+41​f(S)+41​f(Sˉ)+41​f(X).

The milestones need no sign on the function; nonnegativity enters only in the goal.

Significance

The result. Theorem 2.1 gives an algorithm that makes no query at all and is still a constant-factor approximation for unconstrained non-monotone submodular maximization. It sets the baseline that every later algorithm for the problem is measured against: the paper's own nonadaptive 13\tfrac1331​-algorithm and its local search algorithms with factors 13\tfrac1331​ and 25\tfrac2552​, followed by later work culminating in the tight 12\tfrac1221​-approximation of Buchbinder, Feldman, Naor and Schwartz (FOCS 2012). The paper also shows that 14\tfrac1441​ is optimal among nonadaptive algorithms required to return one of the queried sets, and that 12\tfrac1221​ is optimal for symmetric functions among all algorithms using polynomially many value queries, so both factors of Theorem 2.1 have a precise place in the complexity landscape. Lemma 2.3, the probabilistic inequality behind it, is reused in the analyses of the nonadaptive algorithm and of smooth local search.

Formalizing it. The result is proved, with a short proof. What this mission adds is a machine-checked version of the random-set guarantee and of the two sampling lemmas, stated for arbitrary finite ground sets and, for the lemmas, for real-valued submodular functions without a sign. To our knowledge none of these statements has a machine-checked proof; Mathlib has no theory of submodular set functions or of their multilinear extension.

Difficulty

The goal itself is a two-line consequence of the third milestone. The work sits in the lemmas and in one change of viewpoint.

Lemma 2.2 is not a pointwise statement: the random set A(p)A(p)A(p) can be any subset of AAA, and ggg can be smaller on it than both g(∅)g(\emptyset)g(∅) and g(A)g(A)g(A). The inequality holds only in expectation, and only because submodularity controls the marginal value of each element uniformly across the sets it can be added to. Lemma 2.3 needs a conditioning argument over two independent samples; the sets AAA and BBB may overlap, and on A∩BA \cap BA∩B the union A(p)∪B(q)A(p) \cup B(q)A(p)∪B(q) contains an element with probability 1−(1−p)(1−q)1 - (1-p)(1-q)1−(1−p)(1−q), so it is not the product distribution with probability ppp on AAA and qqq on BBB. Finally, the third milestone requires identifying the uniform random subset X(1/2)X(1/2)X(1/2) with the union of independent half-samples of SSS and of its complement, as a statement about finite sums.

The obvious attempt at the goal, comparing f(R)f(R)f(R) with f(S∗)f(S^*)f(S∗) for an optimal S∗S^*S∗ set by set, fails: fff is not monotone, so a random set that contains most of S∗S^*S∗ may still have small value, and a random set can pick up elements that hurt.

Formalization scope

The ground set is a Lean type X with [Fintype X] [DecidableEq X]; subsets are Finset X and set functions are f : Finset X → ℝ. Submodularity is the lattice inequality of Definition 1.1, not the decreasing-marginals property. Nonnegativity, the paper's standing assumption f:2X→R+f : 2^X \to \mathbb{R}_+f:2X→R+​, is the hypothesis ∀ S, 0 ≤ f S; it appears only in the goal. Symmetry is ∀ S, f Sᶜ = f S for all subsets, not only for an optimal one. OPTOPTOPT is Finset.univ.sup' Finset.univ_nonempty f, a maximum over the always nonempty family of all subsets, so it is attained. The ground set may be empty; the goal holds there too and no nonemptiness is assumed.

Expectations are written as exact finite sums, not as integrals. E[f(X(1/2))]\mathbf{E}[f(X(1/2))]E[f(X(1/2))] is the multilinear extension F f (fun _ => 1/2). E[g(A(p))]\mathbf{E}[g(A(p))]E[g(A(p))] is ∑T⊆Ap∣T∣(1−p)∣A∖T∣g(T)\sum_{T \subseteq A} p^{|T|}(1-p)^{|A \setminus T|} g(T)∑T⊆A​p∣T∣(1−p)∣A∖T∣g(T), and E[f(A(p)∪B(q))]\mathbf{E}[f(A(p) \cup B(q))]E[f(A(p)∪B(q))] is the double sum over independent samples S⊆AS \subseteq AS⊆A, T⊆BT \subseteq BT⊆B with the product of the two weights. The ranges 0≤p≤10 \le p \le 10≤p≤1 and 0≤q≤10 \le q \le 10≤q≤1, implied in the paper by the word "probability", are explicit hypotheses; Lemma 2.2 is false without them.

Trivializing formalizations are excluded: the weights are exactly those of the uniform distribution on all 2n2^n2n subsets, OPTOPTOPT is the true maximum rather than the value at one fixed set, and fff is required to be both nonnegative and submodular.

Reusable infrastructure produced by a complete development: the multilinear extension of a set function and its expression as an expectation, product-weight identities for independent sampling of subsets (including the decomposition of X(1/2)X(1/2)X(1/2) along a set and its complement), and Lemmas 2.2 and 2.3, which the companion missions on the nonadaptive algorithm and on smooth local search also need. Proofs of any milestone are welcome independently.

Selected references

  • U. Feige, V. S. Mirrokni, J. Vondrák, Maximizing Non-Monotone Submodular Functions, SIAM Journal on Computing 40(4):1133–1153, 2011. https://doi.org/10.1137/090779346
  • U. Feige, V. S. Mirrokni, J. Vondrák, Maximizing non-monotone submodular functions, Proceedings of the 48th IEEE Symposium on Foundations of Computer Science (FOCS), 2007, pp. 461–471. https://doi.org/10.1109/FOCS.2007.29
  • N. Buchbinder, M. Feldman, J. Naor, R. Schwartz, A Tight Linear Time (1/2)-Approximation for Unconstrained Submodular Maximization, SIAM Journal on Computing 44(5):1384–1402, 2015 (FOCS 2012). https://doi.org/10.1137/130929205
  • G. L. Nemhauser, L. A. Wolsey, M. L. Fisher, An analysis of approximations for maximizing submodular set functions — I, Mathematical Programming 14:265–294, 1978. https://doi.org/10.1007/BF01588971
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Active InferenceInformation Theory·Captain: ActiveInference

Free Energy Principle II: expected free energy, Markov blankets, Gaussian variational free energy, and Bayesian model reductionResearch Paper

Free Energy Principle II: expected free energy, Markov blankets, Gaussian variational free energy, and Bayesian model reduction

Motivation

Mission Free Energy Principle I published the core variational step of the free energy principle (FEP): whatever recognition density a system carries, the posterior-form variational free energy never undercuts the data's surprisal, the bound is exact at the Bayesian posterior, and equality characterizes the posterior. That mission's shared finite substrate — normalized finite laws, finite kernels, entropy/cross-entropy/KL, and the finite generative model — now exists as platform definitions in the namespace FreeEnergyPrinciple.

The Free Energy Principle II mission formalizes the four structures the FEP literature builds on top of that core, all already machine-checked in the source repository fep_lean / fep_formal (Active Inference Institute):

  • Expected free energy — the policy-selection functional of active inference: what a course of action is expected to cost in preference divergence and what it is expected to reveal. Its canonical decomposition [Friston et al. 2017] splits GGG into risk (pragmatic divergence of predicted outcomes from preferences) plus ambiguity (expected entropy of outcomes given latent states), with epistemic value fixing the sign.
  • Markov blankets — the partition that makes a self-organizing system statable: internal states are conditionally independent of external states given the sensory-active blanket. The source development proves this at the level of Mathlib's native conditional distributions, not as a finite mutual-information proxy.
  • Gaussian variational free energy — the closed-form instantiation of the FEP-I bound for the exact scalar Gaussian filter, where the native Gaussian KL is exactly the squared mean error over twice the posterior variance.
  • Bayesian model reduction — model comparison by Bayes factors: posterior odds equal prior odds times the likelihood ratio, the multiplicative update applied whenever a reduced model is compared against the model it was reduced from [Friston & Penny 2011].

Timeline of the mathematical content this mission formalizes:

  • 2006/2010 — Friston's free energy principle: variational free energy as the quantity a self-organizing system minimizes (formalized in FEP-I).
  • 2011 — Friston & Penny, Post hoc Bayesian model selection: Bayesian model reduction — evidence of reduced models evaluated by the free-energy difference; comparison by Bayes factors.
  • 2015 — Friston, Rigoli, Sengupta, Pezzulo — the Markov-blanket partition (sensory/active states) as the geometry of the FEP.
  • 2017 — Friston, FitzGerald, Rigoli, Schwartenbeck, Pezzulo, Active inference: a process theory: expected free energy G(π)=risk+ambiguityG(\pi) = \text{risk} + \text{ambiguity}G(π)=risk+ambiguity drives policy selection.
  • 2022 — Parr, Pezzulo, Friston, Active Inference (MIT Press): Gaussian treatments of filtering and the posterior-form free energy as the working equations.
  • 2026 — fep_formal (Active Inference Institute): a machine-checked Lean 4 catalogue of 155 FEP topics compiled with zero proof holes against a pinned Mathlib. This mission transcribes the proved modules behind expected free energy, native Markov blankets, the scalar Gaussian filter/VFE, and Bayesian model reduction onto the platform.

Setting

Two carriers, both fully machine-checked in the source repository:

  • Finite (reusing FEP-I's published substrate). Laws are normalized real mass functions on finite types; kernels are normalized rows. This mission's expected-free-energy, model-reduction, and Markov-blanket families import the published Definitions.Def_fep_finite_laws, Def_fep_finite_information, and Def_fep_generative_model — no substrate is re-published. Zero-mass atoms are handled by the same totalized conventions as FEP-I: entropy uses Real.negMulLog (so 0log⁡0=00\log 0 = 00log0=0 exactly), KL is the nonnegative klFun integrand, and division premises are explicit.
  • Native Gaussian (self-contained on Mathlib). The Gaussian family is Mathlib's own gaussianReal/gaussianPDF at a fixed strictly positive variance; the scalar OU prediction and the closed filter update give the posterior mean/variance the recognition family varies over. The native KL between two family members is exactly (μ1−μ2)22v\frac{(\mu_1-\mu_2)^2}{2v}2v(μ1​−μ2​)2​ — proved against Mathlib's log-likelihood-ratio definition.

The four definition items of this mission package exactly these carriers:

  • Def_fep2_expected_free_energy — the predicted state-outcome joint, preference risk, likelihood ambiguity, epistemic value, pragmatic cost, expected free energy (epistemic sign fixed by definition), the full-support contract, and the marginal/product/conditional-entropy/mutual-information lemmas the decomposition needs. Imports FEP-I.
  • Def_fep2_gaussian_vfe — fixed-variance Gaussian family with its exact KL, scalar OU parameters, the exact scalar Gaussian filter (prediction, observation kernel, gain, closed posterior, evidence law), evidence surprisal, and the posterior-form Gaussian variational free energy. Self-contained.
  • Def_fep2_bayesian_model_reduction — posterior odds, Bayes factor, and the model-odds update odds←odds×Zf/Zrodds \leftarrow odds \times Z_f/Z_rodds←odds×Zf​/Zr​, with totalized division boundaries kept explicit. Imports FEP-I.
  • Def_fep2_native_blanket — the static blanket factorization, the Dirac-mass embedding of finite laws into native measures, blanket/internal/external coordinates, the conditional-pair kernel, and the marginal/composition identifications the independence proof needs. Imports FEP-I.

Formalization targets

Goal: expected free energy decomposes into risk plus ambiguity

For every finite generative model, every policy π\piπ, and every model with full support:

G[π]  =  KL(P(o∣π) ∥ C)  +  ∑sP(s∣π) H(A[⋅∣s]).G[\pi] \;=\; \mathrm{KL}\big(P(o\mid\pi)\,\|\,C\big) \;+\; \sum_s P(s\mid\pi)\,H\big(A[\cdot\mid s]\big).G[π]=KL(P(o∣π)∥C)+s∑​P(s∣π)H(A[⋅∣s]).

The epistemic-value sign is fixed by definition (G[π]=G[\pi] = G[π]= pragmatic cost −-− epistemic value); the decomposition follows from two entropy identities: epistemic value I(s;o∣π)I(s;o\mid\pi)I(s;o∣π) is predicted outcome entropy minus ambiguity, and risk is cross-entropy minus the same entropy (Gibbs' inequality under full reference support). Nonnegativity of GGG follows as a corollary — but the decomposition, not the bound, is the target.

Gaussian variational free energy in closed form

For the exact scalar Gaussian filter, the posterior-form variational free energy at recognition mean μ\muμ is

F[μ]=(μ−m∗)22v∗+S(o),F[\mu] = \frac{(\mu - m^*)^2}{2v^*} + S(o),F[μ]=2v∗(μ−m∗)2​+S(o),

the exact fixed-variance Gaussian KL (the recognition-to-posterior gap) plus the density-relative evidence surprisal. Equality with the surprisal holds exactly at the posterior mean — the Gaussian analogue of FEP-I's exactness theorem.

Odds recursion of Bayesian model reduction

Bayes' rule in odds form: at positive evidence,

P(hf∣e)P(hr∣e)=P(hf)P(hr)⋅P(e∣hf)P(e∣hr),\frac{P(h_f\mid e)}{P(h_r\mid e)} = \frac{P(h_f)}{P(h_r)}\cdot\frac{P(e\mid h_f)}{P(e\mid h_r)},P(hr​∣e)P(hf​∣e)​=P(hr​)P(hf​)​⋅P(e∣hr​)P(e∣hf​)​,

with the reference prior mass and reference likelihood as exact division premises. The multiplicative Bayes-factor structure (topic fep-120: factorized evidence ratios multiply; sequential model-odds updates agree with one update by product evidence) is available from the same definition layer as a further target.

Native Markov blanket conditional independence

The embedded static blanket factorization satisfies Mathlib's native CondIndepFun predicate: internal coordinates are conditionally independent of external coordinates given the blanket coordinate. The result is obtained by identifying the authored finite conditional kernels with Mathlib conditional distributions (the embedding preserves marginals and joints exactly on discrete carriers) — not by a finite mutual-information argument.

Significance

These four results are the load-bearing extensions of FEP-I's bound: expected free energy converts the variational principle into a theory of action selection; Markov blankets make "internal states" and "external states" well-defined relative to a blanket, which is what lets the FEP talk about self-organizing systems at all; the Gaussian filter is the tractable regime in which the variational machinery becomes the Kalman update; and Bayesian model reduction is the learning/comparison step that updates structure, not just parameters.

Formalizing them. All four families are proved with zero proof holes in the source repository, against a pinned Mathlib; the definition layer here is faithful (same carriers, same totalized conventions, same support contracts made explicit) and every item below compiles locally against the platform environment. The mission's value is reusable community infrastructure: the definition items publish the EFE layer, the Gaussian filter, the odds layer, and the native-blanket embedding in the shared namespace FreeEnergyPrinciple, so later missions (policy trees, collective inference, predictive coding) can import them instead of re-deriving. Status honesty: all eight items below are formalized and machine-checked locally against the platform environment; each is an open problem on the platform only in the sense that no proof has yet been submitted to it.

Difficulty

  • The EFE decomposition looks like an algebraic rearrangement but the sign conventions are load-bearing: the epistemic value enters GGG with a minus sign, and the two helper identities (epistemic value = outcome entropy −-− ambiguity; risk = cross-entropy −-− outcome entropy) both hold only under the full-support contract, which the definition makes explicit rather than hiding in a carrier.
  • The Gaussian identity requires the exact native KL between Gaussian laws — the proof goes through Mathlib's log-likelihood-ratio definition and the Gaussian first moment — and the closed-form update's positivity (positive prediction variance, positive innovation variance) is what makes the recognition family genuine rather than degenerate.
  • The odds recursion is a field-simp identity, but the premises are the point: a plausible rendering that hides division by zero behind totalized division changes the statement.
  • The blanket theorem is the most intricate item: it must transport a finite factorization through the Dirac-mass embedding into Mathlib's conditional-distribution machinery, with nonemptiness premises for the conditional distributions to exist. A "proof" via finite mutual information would prove something weaker than the source.

Formalization scope

Committed conventions of this mission's Lean development:

  • The expected-free-energy and model-reduction families reuse the published Free Energy Principle I finite substrate (namespace FreeEnergyPrinciple, definitions Def_fep_finite_laws, Def_fep_finite_information, Def_fep_generative_model); this mission adds definition items Def_fep2_expected_free_energy, Def_fep2_gaussian_vfe, Def_fep2_bayesian_model_reduction, and Def_fep2_native_blanket, all in the same namespace.
  • The Gaussian family is deliberately native: Mathlib gaussianReal/gaussianPDF, no finite substrate, no manifold geometry, no singular (zero-variance) branch.
  • Totalized real division boundaries (zero evidence, zero reference mass) are stated, never silently absorbed.
  • The natural-gradient / dynamic-flow layer of the source's Gaussian module (natural gradient flow, strict descent away from the posterior) is deliberately left out of this mission and is a natural extension target; likewise the row-wise dynamical blanket theorem (every authored factorized transition row preserves the native blanket conditional independence), which follows directly from the static theorem via the source's nextStaticModel construction.
  • Contributions welcome: the epistemic/pragmatic ENNReal balance (catalogue topic fep-021) onto this substrate, the treewise EFE decomposition (fep-133), Bayes-factor multiplicativity (fep-120), and blanket nonvacuity witnesses.

Selected references

  • K. Friston, A free energy principle for the brain, Journal of Physiology (Paris) 100 (2006) 70–87. https://doi.org/10.1016/j.jphysparis.2006.10.001
  • K. Friston, The free-energy principle: a unified brain theory?, Nature Reviews Neuroscience 11 (2010) 127–138. https://doi.org/10.1038/nrn2787
  • K. Friston & W. Penny, Post hoc Bayesian model selection, NeuroImage 56 (2011) 2089–2099. https://doi.org/10.1016/j.neuroimage.2011.03.062
  • K. Friston, T. FitzGerald, F. Rigoli, P. Schwartenbeck, G. Pezzulo, Active inference: a process theory, Neural Computation 29 (2017) 1–49. https://doi.org/10.1162/neco_a_00912
  • T. Parr, G. Pezzulo, K. J. Friston, Active Inference: The Free Energy Principle in Mind, Brain, and Behavior, MIT Press (2022). https://mitpress.mit.edu/9780262045354/active-inference/
  • D. A. Friedman, fep_formal: Towards Lean 4 Formalization of the Free Energy Principle (v1.2.0), Active Inference Institute (2026), the formal source of truth for this mission. https://github.com/ActiveInferenceInstitute/fep_formal
  • D. A. Friedman, Towards Lean 4 Formalization of the Free Energy Principle: AI-Driven Theorem Sketching and Verification for Active Inference and Bayesian Mechanics, Active Inference Journal (2026). https://doi.org/10.5281/zenodo.19699233
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CombinatoricsMachine Learning·Captain: naimengye

Understanding Machine Learning XXI: Covering NumbersTextbook

Motivation

Chapter 26 bounded the rate of uniform convergence by the Rademacher complexity; Chapter 27 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019), introduces a second, metric measure of the size of a set of vectors, its covering numbers N(r,A)N(r, A)N(r,A), the smallest number of Euclidean balls of radius rrr needed to cover AAA, and connects the two through Dudley's chaining. Covering numbers behave well under scaling and under coordinatewise Lipschitz maps (Lemmas 27.2–27.3), they are easily bounded for sets lying in a low-dimensional subspace (Example 27.1), and the chaining lemma turns a bound on log⁡N(r,A)\log N(r, A)logN(r,A) at all scales r=c2−kr = c2^{-k}r=c2−k into a bound on R(A)R(A)R(A) (Lemma 27.4), with the clean corollary R(A)≤6cm(α+2β)R(A) \le \frac{6c}{m}(\alpha + 2\beta)R(A)≤m6c​(α+2β) when log⁡N(c2−k,A)≤α+βk\sqrt{\log N(c2^{-k}, A)} \le \alpha + \beta klogN(c2−k,A)​≤α+βk (Lemma 27.5). The chapter's example recovers R(A)=O(cdlog⁡d/m)R(A) = O(c\sqrt{d\log d}/m)R(A)=O(cdlogd​/m) for sets in a ddd-dimensional subspace, the technique that the book says would sharpen the fundamental theorem's sample complexity from dlog⁡(d/ϵ)/ϵ2d\log(d/\epsilon)/\epsilon^2dlog(d/ϵ)/ϵ2 to d/ϵ2d/\epsilon^2d/ϵ2.

Setting

For A⊆RmA \subseteq \mathbb{R}^mA⊆Rm with the Euclidean metric, A′A'A′ is an rrr-cover of AAA if every a∈Aa \in Aa∈A is within distance rrr of some a′∈A′a' \in A'a′∈A′, and N(r,A)N(r, A)N(r,A) is the cardinality of the smallest rrr-cover (Definition 27.1). The Rademacher complexity R(A)=1mEσsup⁡a∈A⟨σ,a⟩R(A) = \frac1m\mathbb{E}_\sigma\sup_{a \in A}\langle\sigma, a\rangleR(A)=m1​Eσ​supa∈A​⟨σ,a⟩ is Mission XX's. Chaining is run at the scales c2−kc2^{-k}c2−k, k=1,…,Mk = 1, \dots, Mk=1,…,M, where ccc is a radius of a ball containing AAA, the book's c=min⁡aˉmax⁡a∈A∥a−aˉ∥c = \min_{\bar a}\max_{a \in A}\|a - \bar a\|c=minaˉ​maxa∈A​∥a−aˉ∥ being the smallest such radius.

Formalization targets

Goal: Lemma 27.4

For a nonempty A⊆RmA \subseteq \mathbb{R}^mA⊆Rm, m≥1m \ge 1m≥1, contained in the ball of radius ccc about some aˉ\bar aaˉ, and every integer M>0M > 0M>0,

R(A)≤c 2−Mm+6cm∑k=1M2−klog⁡N(c 2−k,A).R(A) \le \frac{c\,2^{-M}}{\sqrt m} + \frac{6c}{m}\sum_{k=1}^M 2^{-k}\sqrt{\log N(c\,2^{-k}, A)}.R(A)≤m​c2−M​+m6c​k=1∑M​2−klogN(c2−k,A)​.

Milestones

Example 27.1 (the grid rrr-cover of a set of norm at most ccc in a ddd-dimensional subspace, of size (2cd/r+1)d(2c\sqrt d/r + 1)^d(2cd​/r+1)d); Lemma 27.2 (scaling and translation); Lemma 27.3 (the contraction principle); Lemma 27.5 (the corollary of chaining). Further item: Example 27.2 (R(A)=O(cdlog⁡d/m)R(A) = O(c\sqrt{d\log d}/m)R(A)=O(cdlogd​/m) for sets in a ddd-dimensional subspace).

Significance

Chaining is the standard way to get sharp uniform convergence rates: a single-scale union bound (Massart's lemma at one resolution) loses a logarithmic factor, and summing Massart bounds over a geometric sequence of scales, applied to the increments between successive nearest cover points, recovers it. Lemma 27.4 is the discrete Dudley integral, and Lemma 27.5 is the form in which it is used: any polynomial-in-1/r1/r1/r covering number gives R(A)=O(clog⁡N/m)R(A) = O(c\sqrt{\log N}/m)R(A)=O(clogN​/m)-type bounds without the extra logarithm. On the platform these items complete the complexity toolbox begun in Mission XX and provide covering numbers as a reusable notion; the contraction and scaling lemmas mirror their Rademacher counterparts.

Difficulty

Lemmas 27.2 and 27.3 are immediate: the image of an rrr-cover under the affine map is an rcrcrc-cover, and under a coordinatewise ρ\rhoρ-Lipschitz map a ρr\rho rρr-cover, since ∥φ(a)−φ(a′)∥2=∑i(φi(ai)−φi(ai′))2≤ρ2∥a−a′∥2\|\varphi(a) - \varphi(a')\|^2 = \sum_i(\varphi_i(a_i) - \varphi_i(a'_i))^2 \le \rho^2\|a - a'\|^2∥φ(a)−φ(a′)∥2=∑i​(φi​(ai​)−φi​(ai′​))2≤ρ2∥a−a′∥2; formally they are manipulations of the infimum in N∪{∞}\mathbb{N} \cup \{\infty\}N∪{∞}. Example 27.1 needs an orthonormal basis of the subspace (Gram–Schmidt, or Mathlib's orthonormal bases of finite-dimensional inner product subspaces of Rm\mathbb{R}^mRm with the Euclidean structure) and the rounding of coordinates to a grid. Lemma 27.4 is the real work: after centering, take minimal c2−kc2^{-k}c2−k-covers BkB_kBk​, the near-maximizer a∗a^*a∗ of ⟨σ,a⟩\langle\sigma, a\rangle⟨σ,a⟩ (which depends on σ\sigmaσ), its nearest points b(k)∈Bkb^{(k)} \in B_kb(k)∈Bk​, the telescoping a∗=(a∗−b(M))+∑k(b(k)−b(k−1))a^* = (a^* - b^{(M)}) + \sum_k(b^{(k)} - b^{(k-1)})a∗=(a∗−b(M))+∑k​(b(k)−b(k−1)), the bound ∥b(k)−b(k−1)∥≤3c2−k\|b^{(k)} - b^{(k-1)}\| \le 3c2^{-k}∥b(k)−b(k−1)∥≤3c2−k, and Massart's lemma (Mission XX) on the sets B^k\hat B_kB^k​ of increments, of cardinality at most N(c2−k,A)2N(c2^{-k}, A)^2N(c2−k,A)2; a formal proof must handle the supremum not being attained (approximate maximizers) and the dependence of all choices on σ\sigmaσ inside the finite average. Lemma 27.5 lets M→∞M \to \inftyM→∞ using ∑k2−k=1\sum_k 2^{-k} = 1∑k​2−k=1 and ∑kk2−k=2\sum_k k2^{-k} = 2∑k​k2−k=2. Example 27.2 combines Example 27.1 at the scales c2−kc2^{-k}c2−k with Lemma 27.5, with the book's constant log⁡(2d)\log(2\sqrt d)log(2d​). The book's derivation uses the count without +1+1+1, so a proof needs the volumetric covering bound (1+2c/r)d(1 + 2c/r)^d(1+2c/r)d for d≥2d \ge 2d≥2 and a direct count for d=1d = 1d=1.

Formalization scope

Vectors are Fin m → ℝ with an explicit Euclidean norm, because Mathlib's norm on that type is the sup norm; covers are arbitrary finsets of Rm\mathbb{R}^mRm and N(r,A)N(r, A)N(r,A) is an infimum in N∪{∞}\mathbb{N} \cup \{\infty\}N∪{∞}, so no junk value arises when no finite cover exists, and the chaining statements read NNN through ENat.toNat for the bounded sets they concern, where it is finite. Subspaces are Mathlib Submodules with finrank = d. Two statements are given with the constants their proofs support, and the item texts say so. Example 27.1's grid has 2c/ϵ+12c/\epsilon + 12c/ϵ+1 points per coordinate, so the cover has size (2cd/r+1)d(2c\sqrt d/r + 1)^d(2cd​/r+1)d, not (2cd/r)d(2c\sqrt d/r)^d(2cd​/r)d, which is less than 111 for r>2cdr > 2c\sqrt dr>2cd​ and cannot bound a covering number of a nonempty set; Example 27.2 correspondingly has log⁡(4d)\log(4\sqrt d)log(4d​) in place of log⁡(2d)\log(2\sqrt d)log(2d​). Lemma 27.4 is stated for any enclosing radius ccc about any center, since the proof only uses that {aˉ}\{\bar a\}{aˉ} is a ccc-cover of AAA; the book's minimal radius is the special case, and this is the form Example 27.2 needs (with aˉ=0\bar a = 0aˉ=0 and c=max⁡∥a∥c = \max\|a\|c=max∥a∥). Lemma 27.5 keeps the book's α,β>0\alpha, \beta > 0α,β>0.

Not stated: nothing else is in the chapter beyond the bibliographic remarks.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 27. doi:10.1017/CBO9781107298019
  • R. M. Dudley, Universal Donsker classes and metric entropy, Annals of Probability 15(4), 1987. doi:10.1214/aop/1176991978
  • M. Anthony, P. L. Bartlett, Neural Network Learning: Theoretical Foundations, Cambridge University Press, 1999. doi:10.1017/CBO9780511624216
  • M. Talagrand, Upper and Lower Bounds for Stochastic Processes, Springer, 2014. doi:10.1007/978-3-642-54075-2
  • R. Vershynin, High-Dimensional Probability, Cambridge University Press, 2018. doi:10.1017/9781108231596
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Machine LearningStatistics·Captain: naimengye

Understanding Machine Learning XIX: Generative ModelsTextbook

Motivation

The book is discriminative almost throughout: it learns predictors, not distributions, following Vapnik's advice not to solve a more general problem as an intermediate step. Chapter 24 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019), presents the generative alternative: assume a parametric form for the data distribution and estimate its parameters. The maximum likelihood principle is introduced on Bernoulli and Gaussian samples, shown to be empirical risk minimization for the log-loss, and analyzed through the decomposition of the true log-loss risk into a relative entropy plus an entropy (24.5), which explains both its consistency under a correct model and its overfitting on small samples. Naive Bayes and linear discriminant analysis show how generative assumptions reduce the number of parameters and make the Bayes classifier linear (24.8). The chapter's main theorem concerns the Expectation-Maximization algorithm of Dempster, Laird and Rubin for latent-variable models such as Gaussian mixtures: EM never decreases the log-likelihood (Theorem 24.3), because it is an alternate maximization of a lower bound G(Q,θ)G(Q, \theta)G(Q,θ) that touches the likelihood at the posterior (Lemma 24.2). The chapter ends with Bayesian reasoning and the rule of succession.

Setting

A Bernoulli sample S=(x1,…,xm)S = (x_1, \dots, x_m)S=(x1​,…,xm​) has log-likelihood L(S;θ)=log⁡(θ)∑ixi+log⁡(1−θ)∑i(1−xi)L(S;\theta) = \log(\theta)\sum_i x_i + \log(1-\theta)\sum_i(1-x_i)L(S;θ)=log(θ)∑i​xi​+log(1−θ)∑i​(1−xi​) and estimator θ^=1m∑ixi\hat\theta = \frac1m\sum_i x_iθ^=m1​∑i​xi​ (24.1); a Gaussian sample has L(S;(μ,σ))=−12σ2∑i(xi−μ)2−mlog⁡(σ2π)L(S;(\mu,\sigma)) = -\frac1{2\sigma^2}\sum_i(x_i-\mu)^2 - m\log(\sigma\sqrt{2\pi})L(S;(μ,σ))=−2σ21​∑i​(xi​−μ)2−mlog(σ2π​). The log-loss is ℓ(θ,x)=−log⁡Pθ[x]\ell(\theta, x) = -\log P_\theta[x]ℓ(θ,x)=−logPθ​[x] (24.4); on a finite domain, DRE[P∥Q]=∑xP[x]log⁡(P[x]/Q[x])D_{RE}[P\|Q] = \sum_x P[x]\log(P[x]/Q[x])DRE​[P∥Q]=∑x​P[x]log(P[x]/Q[x]) and H(P)=∑xP[x]log⁡(1/P[x])H(P) = \sum_x P[x]\log(1/P[x])H(P)=∑x​P[x]log(1/P[x]). A latent-variable model is a parametric joint Pθ[X=x,Y=y]P_\theta[X = x, Y = y]Pθ​[X=x,Y=y], y∈[k]y \in [k]y∈[k], with L(θ)=∑ilog⁡∑yPθ[X=xi,Y=y]L(\theta) = \sum_i\log\sum_y P_\theta[X = x_i, Y = y]L(θ)=∑i​log∑y​Pθ​[X=xi​,Y=y]; F(Q,θ)=∑i∑yQi,ylog⁡Pθ[X=xi,Y=y]F(Q,\theta) = \sum_i\sum_y Q_{i,y}\log P_\theta[X = x_i, Y = y]F(Q,θ)=∑i​∑y​Qi,y​logPθ​[X=xi​,Y=y], G(Q,θ)=F(Q,θ)−∑i∑yQi,ylog⁡Qi,yG(Q,\theta) = F(Q,\theta) - \sum_i\sum_y Q_{i,y}\log Q_{i,y}G(Q,θ)=F(Q,θ)−∑i​∑y​Qi,y​logQi,y​ over the set Q\mathcal{Q}Q of row-stochastic matrices, and EM alternates the E-step Qi,y(t+1)=Pθ(t)[Y=y∣X=xi]Q^{(t+1)}_{i,y} = P_{\theta^{(t)}}[Y = y \mid X = x_i]Qi,y(t+1)​=Pθ(t)​[Y=y∣X=xi​] (24.10) with the M-step θ(t+1)∈argmax⁡θF(Q(t+1),θ)\theta^{(t+1)} \in \operatorname{argmax}_\theta F(Q^{(t+1)}, \theta)θ(t+1)∈argmaxθ​F(Q(t+1),θ) (24.11).

Formalization targets

Goal: Theorem 24.3

For a positive parametric joint Pθ[X=x,Y=y]P_\theta[X = x, Y = y]Pθ​[X=x,Y=y], a sample x1,…,xmx_1, \dots, x_mx1​,…,xm​, and any run θ(0),θ(1),…\theta^{(0)}, \theta^{(1)}, \dotsθ(0),θ(1),… of EM (each M-step returning some maximizer of F(Q(t+1),⋅)F(Q^{(t+1)}, \cdot)F(Q(t+1),⋅)), the log-likelihood never decreases:

L(θ(t+1))≥L(θ(t))for all t.L(\theta^{(t+1)}) \ge L(\theta^{(t)}) \quad\text{for all } t.L(θ(t+1))≥L(θ(t))for all t.

Milestones

Equation (24.2) (Hoeffding for the Bernoulli estimator); the Gaussian maximum likelihood estimates of §24.1.1; Equation (24.5) (the risk decomposition DRE[P∥Pθ]+H(P)D_{RE}[P\|P_\theta] + H(P)DRE​[P∥Pθ​]+H(P)); Equation (24.8) (the LDA log-likelihood ratio is affine); Lemma 24.2 (EM as alternate maximization of GGG, with G(Q,θ)≤L(θ)G(Q, \theta) \le L(\theta)G(Q,θ)≤L(θ) and equality at the posterior). Further items: Gibbs' inequality, the Bernoulli maximum likelihood estimator (24.1)/(24.3), Exercise 1 (the biased variance estimate), Equation (24.6), the overfitting example of §24.1.3, Exercise 3 / (24.14), the weighted-centroid M-step (24.13), and the rule of succession of §24.5.

Significance

Theorem 24.3 is the guarantee that makes EM a sensible algorithm: it does not find the maximum likelihood estimate, but it climbs monotonically, and Lemma 24.2 identifies why, the E-step chooses the tightest lower bound G(Q,⋅)G(Q, \cdot)G(Q,⋅) at the current parameter and the M-step maximizes it. This variational view underlies a large part of modern latent-variable inference. Equation (24.5) is the information-theoretic content of maximum likelihood: the true risk is the entropy of the data plus the relative entropy to the model, so the best parameter is a projection of the data distribution onto the model class, and Gibbs' inequality is what makes that projection meaningful. The Bernoulli and Gaussian computations are the standard first examples, and Equation (24.8) is the reason linear classifiers appear in generative modeling. On the platform, the mission adds the relative entropy on finite domains, the EM objects, and Gaussian-integral identities that later probabilistic work can reuse.

Difficulty

The Bernoulli and Gaussian maximum likelihood facts are calculus, but as global maximization statements they need the concavity of log⁡\loglog and an explicit completion of squares rather than the book's stationary-point argument; the Gaussian case reduces to minimizing σ↦mσ^22σ2+mlog⁡σ\sigma \mapsto \frac{m\hat\sigma^2}{2\sigma^2} + m\log\sigmaσ↦2σ2mσ^2​+mlogσ. Equation (24.5) is a finite-sum identity; Gibbs' inequality is Jensen for log⁡\loglog with the equality case, or the elementary log⁡t≤t−1\log t \le t - 1logt≤t−1. Lemma 24.2 is Jensen's inequality applied row by row to ∑yQi,ylog⁡(Pθ[X=xi,Y=y]/Qi,y)\sum_y Q_{i,y}\log(P_\theta[X = x_i, Y = y]/Q_{i,y})∑y​Qi,y​log(Pθ​[X=xi​,Y=y]/Qi,y​), with care at entries Qi,y=0Q_{i,y} = 0Qi,y​=0, where the convention 0log⁡0=00\log 0 = 00log0=0 is exactly Lean's junk value; Theorem 24.3 chains the lemma's three parts as the book does. The Gaussian expectation identities (Exercise 1 and (24.6)) require the moments of gaussianReal and Fubini over the product law. Hoeffding's inequality (24.2) is Mission II's Theorem for Bernoulli variables; the overfitting example is the inequality log⁡(1−θ)≥−2θ\log(1-\theta) \ge -2\thetalog(1−θ)≥−2θ on [0,1/2][0, 1/2][0,1/2]. The rule of succession is a Beta-function identity provable by integration by parts.

Formalization scope

Parametric families are functions from a parameter type to real-valued probabilities or densities, following the book's convention (p. 344) that P[X=x]P[X = x]P[X=x] denotes either; no measure-theoretic densities are needed except in the two Gaussian-integral items, which use gaussianReal and the i.i.d. law of Mission I, and in the two Bernoulli probability items, which use the Bernoulli law of Mission XIV. Lean's log 0 = 0 is handled explicitly: the EM items assume a positive joint, since with junk logarithms Theorem 24.3 is false (the M-step could pick a parameter with a zero component and inflated FFF), while the entropy terms Qlog⁡QQ\log QQlogQ use the convention 0log⁡0=00\log 0 = 00log0=0 that the book intends; the Bernoulli maximum likelihood statement ranges over θ∈(0,1)\theta \in (0,1)θ∈(0,1); the log-loss decomposition and Gibbs' inequality take the second distribution positive. The M-step is a predicate ("some maximizer"), so Assumption 24.1 is not modeled, and an EM run is any sequence of such steps. The Gaussian maximum likelihood statement requires a nonconstant sample, without which the likelihood is unbounded; the overfitting example is stated for θ⋆≤1/2\theta^\star \le 1/2θ⋆≤1/2, the range on which the book's inequality (1−θ)m≥e−2θm(1-\theta)^m \ge e^{-2\theta m}(1−θ)m≥e−2θm holds. Equation (24.8) is stated as a matrix identity for any symmetric MMM in place of Σ−1\Sigma^{-1}Σ−1; the soft k-means M-step is stated as the weighted-centroid minimization it amounts to.

Not stated: Naive Bayes (24.7), which is a rewriting of Bayes' rule; the mixture density itself and the E-step formula (24.12); the Bayesian derivations (24.16) and maximum a posteriori estimation; Exercise 2.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 24. doi:10.1017/CBO9781107298019
  • A. P. Dempster, N. M. Laird, D. B. Rubin, Maximum likelihood from incomplete data via the EM algorithm, Journal of the Royal Statistical Society B 39(1), 1977. doi:10.1111/j.2517-6161.1977.tb01600.x
  • C. F. J. Wu, On the convergence properties of the EM algorithm, Annals of Statistics 11(1), 1983. doi:10.1214/aos/1176346060
  • T. M. Cover, J. A. Thomas, Elements of Information Theory, 2nd ed., Wiley, 2006. doi:10.1002/047174882X
  • C. M. Bishop, Pattern Recognition and Machine Learning, Springer, 2006.
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Machine LearningOptimization·Captain: naimengye

Understanding Machine Learning XVIII: Dimensionality ReductionTextbook

Motivation

Dimensionality reduction maps data in Rd\mathbb{R}^dRd to Rn\mathbb{R}^nRn, n≪dn \ll dn≪d, by a linear map x↦Wxx \mapsto Wxx↦Wx, for computational reasons, for generalization (Chapter 19's curse of dimensionality) and for interpretability. Chapter 23 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019), studies three ways to choose WWW. Principal Component Analysis chooses the pair of compression and recovery matrices that minimizes the total squared reconstruction error, and the answer is the eigenvectors of ∑ixixi⊤\sum_i x_ix_i^\top∑i​xi​xi⊤​ for the largest eigenvalues (Theorem 23.2). Random projections choose WWW with independent Gaussian entries, and the Johnson–Lindenstrauss lemma says that the norms of any finite set of vectors are then preserved up to 1±ϵ1 \pm \epsilon1±ϵ with n=O(ϵ−2log⁡∣Q∣)n = O(\epsilon^{-2}\log|Q|)n=O(ϵ−2log∣Q∣) (Lemma 23.4). Compressed sensing exploits sparsity: a matrix with the restricted isometry property compresses every sss-sparse vector losslessly (Theorem 23.6), the reconstruction can be done by ℓ1\ell_1ℓ1​ minimization, a linear program, with an error bound that degrades gracefully for approximately sparse inputs (Theorem 23.8, due to Candès), and Gaussian random matrices with n=O(slog⁡d)n = O(s\log d)n=O(slogd) rows are RIP with high probability (Theorem 23.9).

Setting

Vectors are functions Rd\mathbb{R}^dRd with ∥v∥22=∑ivi2\|v\|_2^2 = \sum_i v_i^2∥v∥22​=∑i​vi2​, ∥v∥1=∑i∣vi∣\|v\|_1 = \sum_i|v_i|∥v∥1​=∑i​∣vi​∣ and ∥v∥0=∣{i:vi≠0}∣\|v\|_0 = |\{i : v_i \ne 0\}|∥v∥0​=∣{i:vi​=0}∣. The PCA problem (23.1) is argmin⁡W∈Rn×d,U∈Rd×n∑i=1m∥xi−UWxi∥22\operatorname{argmin}_{W \in \mathbb{R}^{n \times d}, U \in \mathbb{R}^{d \times n}}\sum_{i=1}^m\|x_i - UWx_i\|_2^2argminW∈Rn×d,U∈Rd×n​∑i=1m​∥xi​−UWxi​∥22​, and A=∑ixixi⊤A = \sum_i x_ix_i^\topA=∑i​xi​xi⊤​. A random matrix has independent N(0,v)N(0, v)N(0,v) entries, v=1v = 1v=1 in Lemma 23.3 and v=1/nv = 1/nv=1/n afterwards. WWW is (ϵ,s)(\epsilon, s)(ϵ,s)-RIP if ∣∥Wx∥22/∥x∥22−1∣≤ϵ\big|\|Wx\|_2^2/\|x\|_2^2 - 1\big| \le \epsilon​∥Wx∥22​/∥x∥22​−1​≤ϵ for every x≠0x \ne 0x=0 with ∥x∥0≤s\|x\|_0 \le s∥x∥0​≤s (Definition 23.5); vIv_IvI​ is vvv restricted to an index set III.

Formalization targets

Goal: Theorem 23.2

Let x1,…,xm∈Rdx_1, \dots, x_m \in \mathbb{R}^dx1​,…,xm​∈Rd, A=∑ixixi⊤A = \sum_i x_ix_i^\topA=∑i​xi​xi⊤​, and let u1,…,unu_1, \dots, u_nu1​,…,un​ be eigenvectors of AAA for its nnn largest eigenvalues, formalized as the first nnn columns of a spectral decomposition A=Vdiag⁡(D)V⊤A = V\operatorname{diag}(D)V^\topA=Vdiag(D)V⊤ with V⊤V=IV^\top V = IV⊤V=I and DDD nonincreasing. Then U=[u1⋯un]U = [u_1 \cdots u_n]U=[u1​⋯un​] with W=U⊤W = U^\topW=U⊤ minimizes (23.1): for every U′,W′U', W'U′,W′,

∑i∥xi−UU⊤xi∥2≤∑i∥xi−U′W′xi∥2.\sum_i\|x_i - UU^\top x_i\|^2 \le \sum_i\|x_i - U'W'x_i\|^2.i∑​∥xi​−UU⊤xi​∥2≤i∑​∥xi​−U′W′xi​∥2.

Milestones

Lemma 23.1 (the reduction of (23.1) to orthonormal UUU and W=U⊤W = U^\topW=U⊤); Lemma 23.4 (Johnson–Lindenstrauss); Theorem 23.6 (exact ℓ0\ell_0ℓ0​ recovery under RIP); Theorem 23.8 (Candès' ℓ1\ell_1ℓ1​ recovery bound); Theorem 23.9 (Gaussian matrices are RIP). Further items: Equation (23.3), Exercise 2, Remark 23.1 (the optimal value ∑i>nDi,i\sum_{i>n}D_{i,i}∑i>n​Di,i​), the eigenvector transfer of §23.1.1, Lemma 23.3, Theorem 23.7, Lemma 23.10, Lemma 23.11 and Lemma 23.12.

Significance

Theorem 23.2 is the Eckart–Young–Mirsky theorem in the form the book states it: PCA is the optimal linear compression-and-recovery scheme in the least-squares sense, and its solution is spectral. The Johnson–Lindenstrauss lemma is the basic tool of randomized dimensionality reduction, with a bound independent of ddd, and the book's variant with explicit constants is what later chapters and the compressed-sensing proofs use. Theorems 23.6–23.9 together are the three "surprising results" of compressed sensing: information-theoretic recoverability from RIP, efficient recovery by convex relaxation, and the existence of RIP matrices by randomness; their proofs, Candès' cone argument and Baraniuk–Davenport–DeVore–Wakin's net-plus-union-bound, are among the cleanest in applied mathematics and are natural formalization targets. On the platform, the mission introduces Gaussian random matrices as product measures and the RIP predicate, usable by later work on sparse recovery.

Difficulty

Lemma 23.1 requires building an orthonormal basis of the range of UWUWUW, padded to nnn vectors when the range has smaller dimension, and the identity ∥x−Vy∥2=∥x∥2+∥y∥2−2y⊤V⊤x\|x - Vy\|^2 = \|x\|^2 + \|y\|^2 - 2y^\top V^\top x∥x−Vy∥2=∥x∥2+∥y∥2−2y⊤V⊤x; Equation (23.3) is a trace computation. Theorem 23.2 combines (23.3), the change of basis B=V⊤UB = V^\top UB=V⊤U with B⊤B=IB^\top B = IB⊤B=I, the bound ∑iBj,i2≤1\sum_i B_{j,i}^2 \le 1∑i​Bj,i2​≤1 from extending BBB to an orthogonal matrix, and Exercise 2, a rearrangement inequality; Remark 23.1 adds trace⁡(A)=∑jDj,j\operatorname{trace}(A) = \sum_j D_{j,j}trace(A)=∑j​Dj,j​. Lemma 23.3 is the concentration of a χn2\chi^2_nχn2​ variable (Lemma B.12), which must itself be established from the Gaussian moment generating function; the Johnson–Lindenstrauss lemma is then a union bound. Theorem 23.6 is a two-line contradiction with RIP applied to x−x~x - \tilde xx−x~. Theorem 23.8 is the substantial one: the partition of [d][d][d] into blocks of sss largest remaining entries, the bound ∥hTj∥2≤s−1/2∥hTj−1∥1\|h_{T_j}\|_2 \le s^{-1/2}\|h_{T_{j-1}}\|_1∥hTj​​∥2​≤s−1/2∥hTj−1​​∥1​, the ℓ1\ell_1ℓ1​-minimality inequality (23.8), Lemma 23.10, and the two claims combined through (23.5); a formal proof must handle the last, possibly shorter block, which the book's "assume d/sd/sd/s is an integer" sidesteps. Lemma 23.11 is a volumetric net bound; Lemma 23.12 applies the Johnson–Lindenstrauss lemma to the image of an ϵ/4\epsilon/4ϵ/4-net of the unit sphere of Rs\mathbb{R}^sRs and closes the gap by the "smallest aaa" argument, and Theorem 23.9 is a union bound over index sets.

Formalization scope

Vectors are plain functions Fin d → ℝ with explicit norms, and matrices are Mathlib matrices, so the objectives are finite sums with no coercions between normed spaces. Random matrices are functions Fin n → Fin d → ℝ with the product of Gaussian laws gaussianReal 0 v, applied through Matrix.of; probability statements bound the outer measure of the failure event, and the failure events of Lemmas 23.4 and 23.12 are written with ≥ϵ\ge \epsilon≥ϵ so that the book's strict conclusions follow. "Eigenvectors corresponding to the nnn largest eigenvalues" is formalized as the first nnn columns of a spectral decomposition with nonincreasing diagonal, which is exactly the set of such systems and avoids Mathlib's eigenvalue ordering conventions. Minimizers (x~\tilde xx~, x⋆x^\starx⋆, xsx_sxs​) are arbitrary elements of the argmin.

Five statements are given as their proofs support them, and the item texts say so. Lemma 23.3 and the Johnson–Lindenstrauss lemma are stated for ϵ≤3/4\epsilon \le 3/4ϵ≤3/4: the printed range ϵ∈(0,3)\epsilon \in (0, 3)ϵ∈(0,3) (and ϵ≤3\epsilon \le 3ϵ≤3) is false, since the χn2\chi^2_nχn2​ upper tail decays like e−n(ϵ−ln⁡(1+ϵ))/2e^{-n(\epsilon - \ln(1+\epsilon))/2}e−n(ϵ−ln(1+ϵ))/2, slower than e−ϵ2n/6e^{-\epsilon^2 n/6}e−ϵ2n/6 for ϵ>0.785\epsilon > 0.785ϵ>0.785 (at ϵ=2.9\epsilon = 2.9ϵ=2.9 it fails for n=10n = 10n=10); the audit found this. Lemma 23.1 as printed, "every solution has orthonormal columns and W=U⊤W = U^\topW=U⊤", is false, since (cU,W/c)(cU, W/c)(cU,W/c) has the same objective as (U,W)(U, W)(U,W); the item states what the proof shows, that every (U,W)(U, W)(U,W) is dominated by some (V,V⊤)(V, V^\top)(V,V⊤) with V⊤V=IV^\top V = IV⊤V=I, which is all that (23.2) needs. Theorem 23.9 is stated with n≥216 slog⁡(72d/(δϵ))/ϵ2n \ge 216\,s\log(72d/(\delta\epsilon))/\epsilon^2n≥216slog(72d/(δϵ))/ϵ2: Lemma 23.12 with ϵ/3\epsilon/3ϵ/3 (so that (1±ϵ/3)2(1 \pm \epsilon/3)^2(1±ϵ/3)2 lies within 1±ϵ1 \pm \epsilon1±ϵ) and δ/ds\delta/d^sδ/ds, followed by a union bound over the at most dsd^sds index sets, gives these constants, and the printed 100100100 and 404040 are not reached by the argument. Theorem 23.8's proof assumes d/sd/sd/s is an integer for simplicity; the statement is given without that assumption, since only the last block of the partition can be short and the block inequality still holds. Lemma 23.3 has x≠0x \ne 0x=0, and the Johnson–Lindenstrauss lemma n≥1n \ge 1n≥1, since for n=0n = 0n=0 its ϵ\epsilonϵ is 000 and the conclusion fails.

Not stated: §23.1.2 (implementation), Remarks 23.2–23.3, §23.4 (the comparison of PCA and compressed sensing), Exercises 1 and 3–6.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 23. doi:10.1017/CBO9781107298019
  • W. B. Johnson, J. Lindenstrauss, Extensions of Lipschitz mappings into a Hilbert space, Contemporary Mathematics 26, 1984. doi:10.1090/conm/026/737400
  • E. J. Candès, The restricted isometry property and its implications for compressed sensing, Comptes Rendus Mathématique 346(9–10), 2008. doi:10.1016/j.crma.2008.03.014
  • R. Baraniuk, M. Davenport, R. DeVore, M. Wakin, A simple proof of the restricted isometry property for random matrices, Constructive Approximation 28, 2008. doi:10.1007/s00365-007-9003-x
  • D. L. Donoho, Compressed sensing, IEEE Transactions on Information Theory 52(4), 2006. doi:10.1109/TIT.2006.871582
  • E. J. Candès, T. Tao, Decoding by linear programming, IEEE Transactions on Information Theory 51(12), 2005. doi:10.1109/TIT.2005.858979
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Machine Learning·Captain: Lucas

Les Houches Lectures on Deep Learning at Large & Infinite Width III: Input–Output Jacobian of Random ReLU NetworksTextbook

Motivation

Lecture 5 of the Les Houches lectures on deep learning at large and infinite width (arXiv:2309.01592, Section 5, lectures by B. Hanin) shows that a random ReLU network evaluated at a single input can be solved exactly. The statistics of the network depend on depth LLL and width nnn through the inverse temperature β=5∑ℓ=1L1/nℓ≈5L/n\beta = 5\sum_{\ell=1}^{L} 1/n_\ell \approx 5L/nβ=5∑ℓ=1L​1/nℓ​≈5L/n. The input–output Jacobian is the simplest quantity where this can be seen. Its second moment does not depend on depth or width. Its fourth moment grows like eβe^{\beta}eβ, which gives a quantitative sense in which the regime where both LLL and nnn are large is controlled by L/nL/nL/n rather than by LLL or nnn alone. The lectures derive this through a combinatorial sum-over-paths formalism developed in Hanin's earlier papers (references [20–22] of the notes).

Setting

Fix a depth L≥1L\ge 1L≥1 and widths n0,…,nL+1≥1n_0,\dots,n_{L+1}\ge 1n0​,…,nL+1​≥1. Let μ\muμ be a probability measure on R\mathbb RR that has a density with respect to Lebesgue measure, is symmetric (μ(−A)=μ(A)\mu(-A)=\mu(A)μ(−A)=μ(A)), and has variance ∫t2 dμ=1\int t^2\,d\mu=1∫t2dμ=1. The weights are

Wij(ℓ)=(2nℓ−1)1/2W^ij(ℓ),W^ij(ℓ) i.i.d.∼μ,1≤ℓ≤L+1,W^{(\ell)}_{ij}=\Big(\tfrac{2}{n_{\ell-1}}\Big)^{1/2}\widehat W^{(\ell)}_{ij},\qquad \widehat W^{(\ell)}_{ij}\ \text{i.i.d.}\sim\mu,\qquad 1\le\ell\le L+1,Wij(ℓ)​=(nℓ−1​2​)1/2Wij(ℓ)​,Wij(ℓ)​ i.i.d.∼μ,1≤ℓ≤L+1,

all biases are 000, and the preactivations at an input x∈Rn0x\in\mathbb R^{n_0}x∈Rn0​ are

z(1)=W(1)x,z(ℓ+1)=W(ℓ+1) ReLU(z(ℓ))(1≤ℓ≤L),ReLU(t)=max⁡(t,0).z^{(1)}=W^{(1)}x,\qquad z^{(\ell+1)}=W^{(\ell+1)}\,\mathrm{ReLU}\big(z^{(\ell)}\big)\quad(1\le\ell\le L),\qquad \mathrm{ReLU}(t)=\max(t,0).z(1)=W(1)x,z(ℓ+1)=W(ℓ+1)ReLU(z(ℓ))(1≤ℓ≤L),ReLU(t)=max(t,0).

The network output is z(L+1)(x)∈RnL+1z^{(L+1)}(x)\in\mathbb R^{n_{L+1}}z(L+1)(x)∈RnL+1​. The input–output Jacobian has entries ∂zq(L+1)/∂xp\partial z^{(L+1)}_q/\partial x_p∂zq(L+1)​/∂xp​. A path is a tuple γ=(γ(0),…,γ(L+1))\gamma=(\gamma(0),\dots,\gamma(L+1))γ=(γ(0),…,γ(L+1)) with γ(ℓ)∈{1,…,nℓ}\gamma(\ell)\in\{1,\dots,n_\ell\}γ(ℓ)∈{1,…,nℓ​}, and Γp,q\Gamma_{p,q}Γp,q​ is the set of paths with γ(0)=p\gamma(0)=pγ(0)=p and γ(L+1)=q\gamma(L+1)=qγ(L+1)=q. Along a path, Wγ(ℓ)=Wγ(ℓ)γ(ℓ−1)(ℓ)W^{(\ell)}_\gamma=W^{(\ell)}_{\gamma(\ell)\gamma(\ell-1)}Wγ(ℓ)​=Wγ(ℓ)γ(ℓ−1)(ℓ)​ and ξγ(ℓ)=1{zγ(ℓ)(ℓ)(x)>0}\xi^{(\ell)}_{\gamma}=\mathbf 1\{z^{(\ell)}_{\gamma(\ell)}(x)>0\}ξγ(ℓ)​=1{zγ(ℓ)(ℓ)​(x)>0}.

Formalization targets

Goal: second moment of the Jacobian (eq. (124))

For every fixed input x≠0x\neq0x=0 and all p,qp,qp,q,

E[(∂zq(L+1)∂xp)2]=2n0.\mathbb E\Big[\Big(\frac{\partial z^{(L+1)}_q}{\partial x_p}\Big)^2\Big]=\frac{2}{n_0}.E[(∂xp​∂zq(L+1)​​)2]=n0​2​.

Milestones

  1. Eq. (123): the output is a sum over paths, zq(L+1)=∑pxp∑γ∈Γp,q∏ℓ=1L+1Wγ(ℓ)∏ℓ=1Lξγ(ℓ)z^{(L+1)}_q=\sum_p x_p\sum_{\gamma\in\Gamma_{p,q}}\prod_{\ell=1}^{L+1}W^{(\ell)}_\gamma\prod_{\ell=1}^{L}\xi^{(\ell)}_\gammazq(L+1)​=∑p​xp​∑γ∈Γp,q​​∏ℓ=1L+1​Wγ(ℓ)​∏ℓ=1L​ξγ(ℓ)​.
  2. Proposition 5.2: at a fixed input x≠0x\neq 0x=0, the output has the same law as the output W(L+1)D(L)W(L)⋯D(1)W(1)xW^{(L+1)}D^{(L)}W^{(L)}\cdots D^{(1)}W^{(1)}xW(L+1)D(L)W(L)⋯D(1)W(1)x of a deep linear network with dropout. Here the D(ℓ)D^{(\ell)}D(ℓ) are diagonal with i.i.d. Bernoulli(1/2)(1/2)(1/2) entries, independent of the weights.
  3. Section 5.4, first exercise: almost surely, ∂zq(L+1)/∂xp=∑γ∈Γp,q∏ℓWγ(ℓ)∏ℓξγ(ℓ)\partial z^{(L+1)}_q/\partial x_p=\sum_{\gamma\in\Gamma_{p,q}}\prod_\ell W^{(\ell)}_\gamma\prod_\ell\xi^{(\ell)}_\gamma∂zq(L+1)​/∂xp​=∑γ∈Γp,q​​∏ℓ​Wγ(ℓ)​∏ℓ​ξγ(ℓ)​.
  4. Section 5.4, first exercise (conclusion): the law of ∂zq(L+1)/∂xp\partial z^{(L+1)}_q/\partial x_p∂zq(L+1)​/∂xp​ is the same for all x≠0x\neq0x=0.
  5. Section 5.5, fourth moment: E[(∂zq(L+1)/∂xp)4]=cn02exp⁡(5∑ℓ=1L1nℓ+O(L/n2))\mathbb E[(\partial z^{(L+1)}_q/\partial x_p)^4]=\frac{c}{n_0^2}\exp\big(5\sum_{\ell=1}^L\frac1{n_\ell}+O(L/n^2)\big)E[(∂zq(L+1)​/∂xp​)4]=n02​c​exp(5∑ℓ=1L​nℓ​1​+O(L/n2)). This is stated under the extra hypothesis ∫t4 dμ=3\int t^4\,d\mu=3∫t4dμ=3 (see Formalization scope).

Significance

Identity (124) says that, with the initialization CW=2C_W=2CW​=2 and zero biases, the typical size of the input–output Jacobian does not depend on depth or width. This is the exact form of the "criticality" of ReLU at CW=2C_W=2CW​=2. The fourth-moment statement shows that the fluctuations are not controlled in this way: they grow exponentially in β≈5L/n\beta\approx 5L/nβ≈5L/n. Together with Proposition 5.2, these results turn questions about deep random ReLU networks at one input into questions about products of random matrices with dropout. As far as the drafter knows, these statements have not been machine-checked before. The mission asks for formal proofs of the lecture's exact identities.

Difficulty

The ReLU network is not a linear function of the weights. Its activation pattern ξ(ℓ)\xi^{(\ell)}ξ(ℓ) depends on the weights of all earlier layers, so the path sum cannot be averaged term by term without first showing that the activation pattern is, in distribution, independent of the weights. That is the content of Proposition 5.2, which is argued only in sketch form in the notes. On top of that, the Jacobian must be identified with the path sum almost surely: at inputs where a preactivation vanishes the network is not differentiable. This requires the density assumption on μ\muμ and a separate treatment of layers in which every neuron is inactive.

Formalization scope

  • Widths form a sequence n : ℕ → ℕ; only n0,…,nL+1n_0,\dots,n_{L+1}n0​,…,nL+1​ are used. The normalized weights are coordinates of the product measure μ⊗\mu^{\otimes}μ⊗ on a finite index set (weightLaw). The Bernoulli masks are coordinates of the uniform product measure on Bool (maskLaw).
  • The Jacobian entry is the Fréchet derivative (fderiv) of y↦zq(L+1)(y)y\mapsto z^{(L+1)}_q(y)y↦zq(L+1)​(y) at xxx applied to the ppp-th basis vector. Mathlib returns 000 at points of non-differentiability, which form a null event for x≠0x\neq0x=0.
  • The notes write Wγ(ℓ)=Wγ(ℓ−1)γ(ℓ)(ℓ)W^{(\ell)}_\gamma=W^{(\ell)}_{\gamma(\ell-1)\gamma(\ell)}Wγ(ℓ)​=Wγ(ℓ−1)γ(ℓ)(ℓ)​. The formalization uses the orientation Wγ(ℓ)γ(ℓ−1)(ℓ)W^{(\ell)}_{\gamma(\ell)\gamma(\ell-1)}Wγ(ℓ)γ(ℓ−1)(ℓ)​, which matches the row/column convention of the network recursion.
  • Fourth moment. For a general μ\muμ the claim in §5.5 appears to need a correction. An informal computation (not part of this draft's verified content) gives a boundary term 2(μ4−3)(1/n1+1/nL)2(\mu_4-3)(1/n_1+1/n_L)2(μ4​−3)(1/n1​+1/nL​) in the exponent, which is of order 1/n1/n1/n rather than L/n2L/n^2L/n2 unless μ4=∫t4dμ=3\mu_4=\int t^4d\mu=3μ4​=∫t4dμ=3 (for example Gaussian μ\muμ). The milestone is therefore stated under the extra hypothesis μ4=3\mu_4=3μ4​=3. The constant c>0c>0c>0 and the O(⋅)O(\cdot)O(⋅) constant may depend on μ\muμ only.
  • An integral of a non-integrable function is 000 in Mathlib. The goal therefore also asserts integrability of the squared Jacobian, because 2/n0≠02/n_0\neq02/n0​=0.

Selected references

  • Y. Bahri, B. Hanin, A. Brossollet, V. Erba, C. Keup, R. Pacelli, J. B. Simon, Les Houches Lectures on Deep Learning at Large & Infinite Width, 2023. arXiv:2309.01592
  • B. Hanin, M. Nica, Products of Many Large Random Matrices and Gradients in Deep Neural Networks, Comm. Math. Phys., 2020. arXiv:1812.05994
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Machine Learning·Captain: Lucas

Les Houches Lectures on Deep Learning at Large & Infinite Width II: Finite-Width Four-Point Function RecursionTextbook

Motivation

At infinite width a randomly initialized network is a Gaussian process (Mission I of this series). Real networks have finite width nnn, and the leading departure from Gaussianity is measured by the connected four-point function κ4\kappa_4κ4​. It captures both correlations between neurons and non-Gaussian fluctuations. Lecture 4 of the Les Houches lectures (arXiv:2309.01592, lectures by B. Hanin) states the central finite-width result, Theorem 4.2: κ4\kappa_4κ4​ is of order 1/n1/n1/n and obeys an explicit layer-to-layer recursion up to O(n−2)O(n^{-2})O(n−2). At criticality this gives the effective depth L/nL/nL/n as the parameter controlling finite-width effects. The result was first derived at a physics level of rigor by Yaida (2020) and in Roberts–Yaida–Hanin (2022), and later derived more mathematically by Hanin (reference [19] of the notes).

Setting

A network of depth LLL with widths n0,…,nL+1n_0,\dots,n_{L+1}n0​,…,nL+1​ and nonlinearity σ\sigmaσ has preactivations z(1)=b(1)+W(1)xz^{(1)}=b^{(1)}+W^{(1)}xz(1)=b(1)+W(1)x and z(ℓ+1)=b(ℓ+1)+W(ℓ+1)σ(z(ℓ))z^{(\ell+1)}=b^{(\ell+1)}+W^{(\ell+1)}\sigma(z^{(\ell)})z(ℓ+1)=b(ℓ+1)+W(ℓ+1)σ(z(ℓ)). The parameters are independent, with Wij(ℓ)∼N(0,CW/nℓ−1)W^{(\ell)}_{ij}\sim\mathcal N(0,C_W/n_{\ell-1})Wij(ℓ)​∼N(0,CW​/nℓ−1​) and bi(ℓ)∼N(0,Cb)b^{(\ell)}_i\sim\mathcal N(0,C_b)bi(ℓ)​∼N(0,Cb​), where Cb≥0C_b\ge0Cb​≥0 and CW>0C_W>0CW​>0 (eqs. (118)–(119)). At a single input xxx, write ⟨f⟩K\langle f\rangle_K⟨f⟩K​ for the average of fff against N(0,K)\mathcal N(0,K)N(0,K). The infinite-width kernel is K(1)=Cb+CW∣x∣2/n0K^{(1)}=C_b+C_W|x|^2/n_0K(1)=Cb​+CW​∣x∣2/n0​ and K(ℓ+1)=Cb+CW⟨σ2⟩K(ℓ)K^{(\ell+1)}=C_b+C_W\langle\sigma^2\rangle_{K^{(\ell)}}K(ℓ+1)=Cb​+CW​⟨σ2⟩K(ℓ)​ (eq. (120)). The parallel susceptibility is χ∥(ℓ)=CW ∂K⟨σ2⟩K∣K=K(ℓ)\chi_\parallel^{(\ell)}=C_W\,\partial_K\langle\sigma^2\rangle_K|_{K=K^{(\ell)}}χ∥(ℓ)​=CW​∂K​⟨σ2⟩K​∣K=K(ℓ)​. The normalized connected four-point function is

κ4(ℓ)=13(E[(zi(ℓ))4]−3 E[(zi(ℓ))2]2).\kappa^{(\ell)}_4=\tfrac13\Big(\mathbb E\big[(z^{(\ell)}_i)^4\big]-3\,\mathbb E\big[(z^{(\ell)}_i)^2\big]^2\Big).κ4(ℓ)​=31​(E[(zi(ℓ)​)4]−3E[(zi(ℓ)​)2]2).

Formalization targets

Goal: Theorem 4.2, recursion for κ4\kappa_4κ4​

If the hidden widths satisfy n≤nℓ≤Ann\le n_\ell\le Ann≤nℓ​≤An, then κ4(ℓ)=O(n−1)\kappa^{(\ell)}_4=O(n^{-1})κ4(ℓ)​=O(n−1) and

κ4(ℓ+1)=CW2nℓ VarK(ℓ)[σ2]+(χ∥(ℓ))2κ4(ℓ)+O(n−2),\kappa^{(\ell+1)}_4=\frac{C_W^2}{n_\ell}\,\mathrm{Var}_{K^{(\ell)}}\big[\sigma^2\big]+\big(\chi^{(\ell)}_\parallel\big)^2\kappa^{(\ell)}_4+O(n^{-2}),κ4(ℓ+1)​=nℓ​CW2​​VarK(ℓ)​[σ2]+(χ∥(ℓ)​)2κ4(ℓ)​+O(n−2),

with constants independent of the widths.

Milestones

  1. Proposition 4.3: AW∼N(Aμ,AΣAT)AW\sim\mathcal N(A\mu,A\Sigma A^{T})AW∼N(Aμ,AΣAT) for W∼N(μ,Σ)W\sim\mathcal N(\mu,\Sigma)W∼N(μ,Σ).
  2. Lemma 4.4: conditional on z(ℓ)z^{(\ell)}z(ℓ), the vector z(ℓ+1)z^{(\ell+1)}z(ℓ+1) is Gaussian with covariance Σ(ℓ)I\Sigma^{(\ell)}IΣ(ℓ)I, where Σ(ℓ)=Cb+CWnℓ∑jσ(zj(ℓ))2\Sigma^{(\ell)}=C_b+\frac{C_W}{n_\ell}\sum_j\sigma(z^{(\ell)}_j)^2Σ(ℓ)=Cb​+nℓ​CW​​∑j​σ(zj(ℓ)​)2; moreover κ4(ℓ+1)=Var[Σ(ℓ)]\kappa^{(\ell+1)}_4=\mathrm{Var}[\Sigma^{(\ell)}]κ4(ℓ+1)​=Var[Σ(ℓ)].
  3. Section 4.8, exercise: κ4(ℓ)=Cov((zi(ℓ))2,(zj(ℓ))2)\kappa^{(\ell)}_4=\mathrm{Cov}\big((z^{(\ell)}_i)^2,(z^{(\ell)}_j)^2\big)κ4(ℓ)​=Cov((zi(ℓ)​)2,(zj(ℓ)​)2) for i≠ji\neq ji=j.
  4. Theorem 4.2, criticality (ReLU, Cb=0C_b=0Cb​=0, CW=2C_W=2CW​=2, uniform width): κ4(L+1)/(K(L+1))2=CσL/n+OL(n−2)\kappa^{(L+1)}_4/(K^{(L+1)})^2=C_\sigma L/n+O_L(n^{-2})κ4(L+1)​/(K(L+1))2=Cσ​L/n+OL​(n−2).
  5. Theorem 4.2, expansion of observables: Ef(z1(ℓ),…,zm(ℓ))=⟨f⟩G(ℓ)+κ4(ℓ)8⟨(∑j∂j4+∑j1≠j2∂j12∂j22)f⟩K(ℓ)+O(n−2)\mathbb E f(z^{(\ell)}_1,\dots,z^{(\ell)}_m)=\langle f\rangle_{G^{(\ell)}}+\frac{\kappa^{(\ell)}_4}{8}\big\langle\big(\sum_j\partial_j^4+\sum_{j_1\neq j_2}\partial_{j_1}^2\partial_{j_2}^2\big)f\big\rangle_{K^{(\ell)}}+O(n^{-2})Ef(z1(ℓ)​,…,zm(ℓ)​)=⟨f⟩G(ℓ)​+8κ4(ℓ)​​⟨(∑j​∂j4​+∑j1​=j2​​∂j1​2​∂j2​2​)f⟩K(ℓ)​+O(n−2).

Significance

Theorem 4.2 is the first quantitative statement that finite-width networks at initialization are not Gaussian processes. The size of the deviation is 1/n1/n1/n per layer, and it accumulates linearly in depth at criticality. This is the basis for the claim of Lecture 4 that L/nL/nL/n controls correlations between neurons, fluctuations and, in later lectures, feature learning. As far as the drafter knows these statements have not been machine-checked. Lemma 4.4 and the covariance exercise are exact finite-width identities and are natural first targets.

Difficulty

The next layer is Gaussian only conditionally, with a random variance Σ(ℓ)\Sigma^{(\ell)}Σ(ℓ) that is an average over nℓn_\ellnℓ​ dependent neurons. Establishing the recursion to order n−2n^{-2}n−2 requires expanding Gaussian averages around the mean of Σ(ℓ)\Sigma^{(\ell)}Σ(ℓ) and controlling all higher cumulants of this collective observable uniformly in the widths. The nonlinearity is only assumed polynomially bounded, so smoothness must come from Gaussian averaging, not from σ\sigmaσ.

Formalization scope

  • Mission I's definitions (LesHouchesWidth_GaussianMLP: the network mlpZ, stdGaussianParams, nngpKernel, uniformWidths) are reused. Mission I must be launched first, and its definition then added to this proposal as a reference item.
  • New definitions (LesHouchesWidth_FiniteWidth): gaussAvg, gaussAvgVec, gaussVarSq, chiParallel, PolyBounded, kappa4, dressedTwoPoint, collectiveSigma.
  • "n1,…,nL≃nn_1,\dots,n_L\simeq nn1​,…,nL​≃n" is encoded as n≤nℓ≤Ann\le n_\ell\le Ann≤nℓ​≤An for a fixed A≥1A\ge1A≥1. The O(⋅)O(\cdot)O(⋅) constants may depend on all fixed data (Cb,CW,σ,L,n0,nL+1,x,AC_b,C_W,\sigma,L,n_0,n_{L+1},x,ACb​,CW​,σ,L,n0​,nL+1​,x,A, and m,fm,fm,f where relevant) but not on nnn or on the widths.
  • "Reasonable" σ\sigmaσ is taken to mean measurable and polynomially bounded, and the kernel is assumed nondegenerate: K(ℓ)>0K^{(\ell)}>0K(ℓ)>0 for 1≤ℓ≤L+11\le\ell\le L+11≤ℓ≤L+1, as the density-based definition of ⟨⋅⟩K\langle\cdot\rangle_K⟨⋅⟩K​ in Section 4.2 requires. "Reasonable" test functions fff are taken to be smooth with polynomially bounded derivatives of all orders.
  • The expansion of observables is stated with κ4(ℓ)\kappa^{(\ell)}_4κ4(ℓ)​ in front of the correction. The printed κ4(ℓ+1)\kappa^{(\ell+1)}_4κ4(ℓ+1)​ appears to be an index slip: with κ4(ℓ)\kappa^{(\ell)}_4κ4(ℓ)​ the formula reproduces E[z4]=3G2+3κ4\mathbb E[z^4]=3G^2+3\kappa_4E[z4]=3G2+3κ4​ and E[z12z22]=G2+κ4\mathbb E[z_1^2z_2^2]=G^2+\kappa_4E[z12​z22​]=G2+κ4​ exactly.
  • The criticality statement is formalized for ReLU at Cb=0C_b=0Cb​=0, CW=2C_W=2CW​=2, the one critical example in the notes where K(ℓ)K^{(\ell)}K(ℓ) is constant. For σ=tanh⁡\sigma=\tanhσ=tanh the notes' "≃\simeq≃" is asymptotic in depth and is not formalized here.

Selected references

  • Y. Bahri, B. Hanin, A. Brossollet, V. Erba, C. Keup, R. Pacelli, J. B. Simon, Les Houches Lectures on Deep Learning at Large & Infinite Width, 2023. arXiv:2309.01592
  • S. Yaida, Non-Gaussian processes and neural networks at finite widths, MSML 2020. arXiv:1910.00019
  • D. A. Roberts, S. Yaida, B. Hanin, The Principles of Deep Learning Theory, Cambridge University Press, 2022. arXiv:2106.10165
  • B. Hanin, Random Fully Connected Neural Networks as Perturbatively Solvable Hierarchies, 2022. arXiv:2204.01058
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Machine Learning·Captain: Lucas

Les Houches Lectures on Deep Learning at Large & Infinite Width I: Gaussian-Process Limit of Wide Networks and Wick's TheoremTextbook

Motivation

A fully connected neural network with random Gaussian weights defines a random function of its input. Lecture 1 of the Les Houches lectures on deep learning at large and infinite width (arXiv:2309.01592, lectures by Y. Bahri) explains that, when the hidden layers become infinitely wide, this random function becomes a Gaussian process (the "neural network Gaussian process", NNGP). Its covariance kernel is computed by an explicit layer-to-layer recursion. The observation goes back to Neal (1996) for one hidden layer. It was extended to deep networks by Matthews et al. and Lee et al. (2018). It underlies Bayesian inference with infinitely wide networks (Section 1.6) and the analysis of signal propagation at large depth (Section 1.7). Lecture 2 introduces Wick's theorem, the tool for computing moments of Gaussian vectors that the lectures then use for finite-width corrections.

Setting

A network of depth LLL with widths n0,…,nL+1n_0,\dots,n_{L+1}n0​,…,nL+1​ and nonlinearity φ\varphiφ maps an input x∈Rn0x\in\mathbb R^{n_0}x∈Rn0​ to preactivations

zi(1)=bi(1)+∑jWij(1)xj,zi(ℓ+1)=bi(ℓ+1)+∑jWij(ℓ+1) φ(zj(ℓ)),z^{(1)}_i=b^{(1)}_i+\sum_{j}W^{(1)}_{ij}x_j,\qquad z^{(\ell+1)}_i=b^{(\ell+1)}_i+\sum_{j}W^{(\ell+1)}_{ij}\,\varphi\big(z^{(\ell)}_j\big),zi(1)​=bi(1)​+j∑​Wij(1)​xj​,zi(ℓ+1)​=bi(ℓ+1)​+j∑​Wij(ℓ+1)​φ(zj(ℓ)​),

with independent bi(ℓ)∼N(0,σb2)b^{(\ell)}_i\sim\mathcal N(0,\sigma_b^2)bi(ℓ)​∼N(0,σb2​) and Wij(ℓ)∼N(0,σw2/nℓ−1)W^{(\ell)}_{ij}\sim\mathcal N(0,\sigma_w^2/n_{\ell-1})Wij(ℓ)​∼N(0,σw2​/nℓ−1​) (eqs. (1)–(3) and (5); layers are indexed as in Lectures 4–5, so zlz^{l}zl of Lecture 1 is z(l+1)z^{(l+1)}z(l+1) here). For a 2×22\times22×2 covariance Σ\SigmaΣ write Fφ(Σ11,Σ12,Σ22)=E(u1,u2)∼N(0,Σ)[φ(u1)φ(u2)]F_\varphi(\Sigma_{11},\Sigma_{12},\Sigma_{22})=\mathbb E_{(u_1,u_2)\sim\mathcal N(0,\Sigma)}[\varphi(u_1)\varphi(u_2)]Fφ​(Σ11​,Σ12​,Σ22​)=E(u1​,u2​)∼N(0,Σ)​[φ(u1​)φ(u2​)] (eq. (15)). The NNGP kernel is

K(1)(x,x′)=σb2+σw2 x⋅x′n0,K(ℓ+1)(x,x′)=σb2+σw2Fφ(K(ℓ)(x,x),K(ℓ)(x,x′),K(ℓ)(x′,x′)).K^{(1)}(x,x')=\sigma_b^2+\sigma_w^2\,\frac{x\cdot x'}{n_0},\qquad K^{(\ell+1)}(x,x')=\sigma_b^2+\sigma_w^2F_\varphi\big(K^{(\ell)}(x,x),K^{(\ell)}(x,x'),K^{(\ell)}(x',x')\big).K(1)(x,x′)=σb2​+σw2​n0​x⋅x′​,K(ℓ+1)(x,x′)=σb2​+σw2​Fφ​(K(ℓ)(x,x),K(ℓ)(x,x′),K(ℓ)(x′,x′)).

A pairing of {1,…,2m}\{1,\dots,2m\}{1,…,2m} is a partition into mmm two-element blocks.

Formalization targets

Goal: Result 1 (single hidden layer)

For a network with one hidden layer of width nnn, fixed inputs x1,…,xmx_1,\dots,x_mx1​,…,xm​ and output width n2n_2n2​, as n→∞n\to\inftyn→∞ the vector (zi(2)(xa))i≤n2, a≤m(z^{(2)}_i(x_a))_{i\le n_2,\,a\le m}(zi(2)​(xa​))i≤n2​,a≤m​ converges in distribution to a centered Gaussian with covariance

E[zi(2)(xa)zj(2)(xb)]→δijK(2)(xa,xb).\mathbb E\big[z^{(2)}_i(x_a)z^{(2)}_j(x_b)\big]\to\delta_{ij}K^{(2)}(x_a,x_b).E[zi(2)​(xa​)zj(2)​(xb​)]→δij​K(2)(xa​,xb​).

Milestones

  1. Eq. (10): E[zi(1)(x)zi(1)(x′)]=K(1)(x,x′)\mathbb E[z^{(1)}_i(x)z^{(1)}_i(x')]=K^{(1)}(x,x')E[zi(1)​(x)zi(1)​(x′)]=K(1)(x,x′).
  2. Eqs. (9), (11): E[zi(2)(x)zi(2)(x′)]=K(2)(x,x′)\mathbb E[z^{(2)}_i(x)z^{(2)}_i(x')]=K^{(2)}(x,x')E[zi(2)​(x)zi(2)​(x′)]=K(2)(x,x′) at every finite width.
  3. Eq. (16): closed form of FReLUF_{\mathrm{ReLU}}FReLU​ (the arc-cosine kernel).
  4. Result 2 (Wick's theorem): E[zμ1⋯zμ2m]=∑pairings∏Kμkμk′\mathbb E[z_{\mu_1}\cdots z_{\mu_{2m}}]=\sum_{\text{pairings}}\prod K_{\mu_k\mu_{k'}}E[zμ1​​⋯zμ2m​​]=∑pairings​∏Kμk​μk′​​ for z∼N(0,K)z\sim\mathcal N(0,K)z∼N(0,K), and odd moments vanish.

A further item states the deep version of the limit, eqs. (13)–(14), in the simultaneous-width limit. It is included as a supporting theorem rather than a milestone.

Significance

Result 1 and its deep extension identify the prior over functions induced by random initialization. They also make the NNGP kernel the central computational object of the infinite-width theory. The finite-width covariance identities (9)–(11) are exact and explain where the recursion comes from. Formula (16) makes the recursion explicit for ReLU. Wick's theorem is the basic tool of the finite-width perturbation theory of later lectures. These are classical results. The mission asks for their formal proofs against a single shared model of random networks that the later missions of this series reuse.

Difficulty

Result 1 is a multivariate central limit theorem for sums of nnn i.i.d. vectors whose entries are products of a Gaussian weight and a nonlinear function of Gaussian first-layer preactivations. No assumption beyond square-integrability of φ\varphiφ against the relevant Gaussians is imposed, so the CLT must be applied in its L2L^2L2 form. The deep limit is harder: for L≥2L\ge2L≥2 the hidden preactivations are not Gaussian at finite width, and one must control a triangular array in which the widths of all layers grow together. The ReLU formula (16) is an explicit but delicate Gaussian integral over a cone.

Formalization scope

  • The parameters are coordinates of i.i.d. standard Gaussians (stdGaussianParams), scaled by σb\sigma_bσb​ and σw/nℓ−1\sigma_w/\sqrt{n_{\ell-1}}σw​/nℓ−1​​ (mlpBias, mlpWeight). This is equality in law with the prior (5).
  • Bivariate Gaussian averages use Mathlib's multivariateGaussian. Convergence in distribution is stated with bounded continuous test functions: E g(Zn)→∫g dN(0,C)\mathbb E\,g(Z_n)\to\int g\,d\mathcal N(0,C)Eg(Zn​)→∫gdN(0,C) for every bounded continuous ggg.
  • The one-hidden-layer goal assumes only that φ\varphiφ is measurable and that φ2\varphi^2φ2 is integrable against N(0,K(1)(xa,xa))\mathcal N(0,K^{(1)}(x_a,x_a))N(0,K(1)(xa​,xa​)) for each input. The deep statement assumes φ\varphiφ continuous with a linear envelope ∣φ(u)∣≤c+M∣u∣|\varphi(u)|\le c+M|u|∣φ(u)∣≤c+M∣u∣, the condition used by Matthews et al. (2018). The notes defer to the references for these conditions.
  • Pairings are fixed-point-free involutions of {0,…,2m−1}\{0,\dots,2m-1\}{0,…,2m−1}.

Selected references

  • Y. Bahri, B. Hanin, A. Brossollet, V. Erba, C. Keup, R. Pacelli, J. B. Simon, Les Houches Lectures on Deep Learning at Large & Infinite Width, 2023. arXiv:2309.01592
  • R. M. Neal, Bayesian Learning for Neural Networks, Springer, 1996. doi:10.1007/978-1-4612-0745-0
  • A. G. de G. Matthews, M. Rowland, J. Hron, R. E. Turner, Z. Ghahramani, Gaussian Process Behaviour in Wide Deep Neural Networks, ICLR 2018. arXiv:1804.11271
  • Y. Cho, L. K. Saul, Kernel Methods for Deep Learning, NeurIPS 2009.
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An Introduction to Computational Learning Theory V: Classification Noise and Statistical QueriesTextbook

Motivation

Chapter 5 of Kearns and Vazirani, An Introduction to Computational Learning Theory (MIT Press, 1994, doi:10.7551/mitpress/3897.001.0001), asks what happens to PAC learning when the labels are unreliable. In the classification noise model of Angluin and Laird, each label returned by the oracle is flipped independently with a fixed probability η<1/2\eta < 1/2η<1/2. The algorithms of Chapter 1 collapse at once: the elimination algorithm deletes a correct literal on the strength of a single mislabeled example, and the tightest-fit rectangle may not exist. The chapter's remedy is to learn from statistics: an algorithm that forms its hypothesis only from estimates of probabilities of simple events is insensitive to occasional wrong labels. Kearns's statistical query model makes this precise, replacing the example oracle by an oracle that returns the probability of any predicate of a labeled example to within a tolerance, and the main theorem (5.3) shows that every class learnable from statistical queries is PAC learnable in the presence of classification noise. The proof rests on a single identity, Equation (5.2), that expresses the true value of a statistical query in terms of three quantities that can each be estimated from noisy examples, and on the observation that a hypothesis's disagreement with the noisy label is an affine function of its true error, which lets the best of several candidate hypotheses be recognized without clean data.

Setting

The framework is that of Mission I. The noisy example law is that of (x,b)(x, b)(x,b) with x∼Dx \sim Dx∼D and b=c(x)b = c(x)b=c(x) flipped with probability η\etaη. A statistical query is a predicate χ\chiχ of a labeled example with value Pχ=Pr⁡x∼D[χ(x,c(x))=1]P_\chi = \Pr_{x \sim D}[\chi(x, c(x)) = 1]Pχ​=Prx∼D​[χ(x,c(x))=1]. The inputs split into X1X_1X1​, where the label matters to χ\chiχ, and X2X_2X2​, where it does not; p1=D(X1)p_1 = D(X_1)p1​=D(X1​) and D1D_1D1​ is DDD conditioned on X1X_1X1​. For conjunctions over {0,1}n\{0,1\}^n{0,1}n, p0(z)p_0(z)p0​(z) is the probability that a literal zzz is set to 000 and p01(z)p_{01}(z)p01​(z) the probability that it is 000 on a positive example; zzz is significant if p0(z)≥ϵ/8np_0(z) \ge \epsilon/8np0​(z)≥ϵ/8n and harmful if p01(z)≥ϵ/8np_{01}(z) \ge \epsilon/8np01​(z)≥ϵ/8n.

Formalization targets

Goal: Equation (5.2)

For 0≤η<1/20 \le \eta < 1/20≤η<1/2 and every statistical query χ\chiχ,

Pχ=p1⋅Pr⁡EXCNη(c,D1)[χ=1]−η1−2η+Pr⁡EXCNη(c,D)[χ=1∧x∈X2],P_\chi = p_1 \cdot \frac{\Pr_{EX^\eta_{CN}(c, D_1)}[\chi = 1] - \eta}{1 - 2\eta} + \Pr_{EX^\eta_{CN}(c, D)}[\chi = 1 \wedge x \in X_2],Pχ​=p1​⋅1−2ηPrEXCNη​(c,D1​)​[χ=1]−η​+EXCNη​(c,D)Pr​[χ=1∧x∈X2​],

the probabilities on the right being taken under the noisy oracle.

Milestones

The §5.2 analysis behind Theorem 5.2 (the conjunction of all significant, non-harmful literals has error at most ϵ/2\epsilon/2ϵ/2); the product estimate bound of p. 115 (AB−2τ′≤A^B^≤AB+3τ′AB - 2\tau' \le \hat A\hat B \le AB + 3\tau'AB−2τ′≤A^B^≤AB+3τ′); the identity of p. 117 (γh=η+(1−2η) error(h)\gamma_h = \eta + (1 - 2\eta)\,\mathrm{error}(h)γh​=η+(1−2η)error(h)).

Significance

Equation (5.2) is the entire mechanism of noise-tolerant learning in the statistical query model: the noisy oracle cannot be de-noised example by example, but the probability of any predicate can be recovered exactly from noisy probabilities, because on the inputs where the label matters the noise acts as a known affine contraction and on the others it acts not at all. Together with the p. 117 identity, which turns hypothesis selection into a comparison of noisy disagreement rates, and the Chernoff bounds of Mission IV, it yields Theorem 5.3 and hence noise-tolerant algorithms for every class the book has learned so far (conjunctions, decision lists, kkk-CNF). The §5.2 analysis is the first statistical-query algorithm and shows the pattern: a hypothesis defined by thresholds on a few probabilities, with enough slack between the thresholds that estimates suffice. None of this is machine-checked. The formalization fixes the noisy example law on the platform's sample framework and proves the exact identities on which the noise-tolerant simulation depends.

Difficulty

Equation (5.2) is a computation with the pushforward of a product measure: one must express the noisy law on X1X_1X1​ as a mixture of the clean law and its label-flipped image, solve the affine relation for the clean probability, and combine with the restriction to X2X_2X2​, where the flipped and unflipped labels give the same value of χ\chiχ; the degenerate case D(X1)=0D(X_1) = 0D(X1​)=0, in which the conditional measure is zero and the first term vanishes, must be handled separately. The p. 117 identity is the same computation without the split. The §5.2 analysis is two union bounds over the 2n2n2n literals after the observation that a literal of the target is never harmful and that a literal of the hypothesis is never insignificant. The product lemma is elementary arithmetic with a case split at A<τ′A < \tau'A<τ′.

Formalization scope

The noisy oracle is a measure on labeled examples obtained by mapping the product of DDD and a Bernoulli(η\etaη) coin; the conditional D1D_1D1​ is Mathlib's conditional measure; queries are arbitrary measurable predicates of a labeled example, with no tolerance or query-count bookkeeping. Theorem 5.3 itself, the definitions of efficient learnability from statistical queries (Definition 14) and of efficient noisy PAC learnability (Definition 13), Theorem 5.1, Theorem 5.2 as a statement about an algorithm with oracle access, and Corollary 5.4 are not stated: they quantify over query algorithms and their running times, for which this series has no model; the mission carries their exact probabilistic content. The error-propagation analysis of §5.4.2–5.4.3 with tolerance τ/27\tau/27τ/27 and the guessing resolution Δ\DeltaΔ is not stated beyond the product lemma, since the factor 1/(1−2η)1/(1-2\eta)1/(1−2η) is not in [0,1][0,1][0,1] and the book's constant does not account for it. Hypotheses: 0≤η<1/20 \le \eta < 1/20≤η<1/2 for the decomposition, 0≤η≤10 \le \eta \le 10≤η≤1 for the disagreement identity, ϵ>0\epsilon > 0ϵ>0 for the conjunction analysis, all reals in [0,1][0,1][0,1] for the product lemma.

Trivializing readings are excluded: the decomposition is an exact identity for every measurable query, and the conjunction bound is for the exact thresholds ϵ/8n\epsilon/8nϵ/8n with the union bound's ϵ/2\epsilon/2ϵ/2. Welcome contributions: the mixture representation of the noisy law, the restriction of a pushforward to X2X_2X2​, and the two union bounds.

Selected references

  • M. J. Kearns, U. V. Vazirani, An Introduction to Computational Learning Theory, MIT Press, 1994, Chapter 5. doi:10.7551/mitpress/3897.001.0001
  • D. Angluin, P. Laird, Learning from noisy examples, Machine Learning 2(4), 1988. doi:10.1007/BF00116829
  • M. Kearns, Efficient noise-tolerant learning from statistical queries, Journal of the ACM 45(6), 1998. doi:10.1145/293347.293351
  • M. Kearns, M. Li, Learning in the presence of malicious errors, SIAM Journal on Computing 22(4), 1993. doi:10.1137/0222052
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An Introduction to Computational Learning Theory IV: Weak and Strong Learning, Boosting and Chernoff BoundsTextbook

Motivation

Chapter 4 of Kearns and Vazirani, An Introduction to Computational Learning Theory (MIT Press, 1994, doi:10.7551/mitpress/3897.001.0001), asks whether the PAC model's demand for arbitrarily small error and confidence is essential. A weak learning algorithm need only, with some fixed positive probability, output a hypothesis that beats random guessing by a fixed margin. Schapire's theorem, the chapter's main result, says that this apparently much weaker requirement is equivalent to the original one: any weak learner can be converted, by running it on carefully filtered distributions and combining its hypotheses by majority votes, into a strong learner. The construction is boosting, which became one of the most influential ideas in machine learning. The chapter proves the equivalence in two steps. Boosting the confidence is elementary: run the learner several times and validate. Boosting the accuracy is the substance: a modest procedure that combines three hypotheses, each with error at most β\betaβ on its own distribution, into a majority with error at most g(β)=3β2−2β3<βg(\beta) = 3\beta^2 - 2\beta^3 < \betag(β)=3β2−2β3<β, applied recursively until the error is driven below the target. The Chernoff bounds of the Appendix, the book's workhorse for estimating probabilities from samples, are what makes the validation steps rigorous.

Setting

The framework is that of Mission I. A class CCC is weakly learnable using HHH if for some advantage γ>0\gamma > 0γ>0, confidence δ0>0\delta_0 > 0δ0​>0 and sample size mmm, an algorithm outputs hypotheses in HHH that, for every target in CCC and every distribution, have error at most 1/2−γ1/2 - \gamma1/2−γ with probability at least δ0\delta_0δ0​; the algorithm's prediction L(S)(x)L(S)(x)L(S)(x) is a measurable function of the sample and the instance together, as it is for every algorithm. Given a hypothesis h1h_1h1​, the filtered distribution D2D_2D2​ gives weight 1/21/21/2 to the instances on which h1h_1h1​ errs and 1/21/21/2 to those on which it is correct, preserving relative weights within each part, and D3D_3D3​ is DDD conditioned on h1≠h2h_1 \ne h_2h1​=h2​; the modest procedure outputs majority(h1,h2,h3)\mathrm{majority}(h_1, h_2, h_3)majority(h1​,h2​,h3​). Ternary majority trees over HHH are the closure of HHH under the majority of three. For confidence boosting, kkk independent samples yield kkk hypotheses, and a fresh sample selects the one with the fewest mistakes. Bernoulli trials are mmm independent coin flips with success probability ppp.

Formalization targets

Goal: Theorem 4.9

If CCC is weakly PAC learnable using measurable hypotheses in HHH, then CCC is PAC learnable using the class of ternary majority trees with leaves from HHH: for all ϵ,δ∈(0,1/2)\epsilon, \delta \in (0, 1/2)ϵ,δ∈(0,1/2) some sample size and some algorithm outputting majority trees achieve error at most ϵ\epsilonϵ with probability at least 1−δ1 - \delta1−δ, for every target in CCC and every distribution.

Milestones

Theorem 9.2 (the additive and multiplicative Chernoff bounds); the two facts of §4.2 behind confidence boosting (independent runs all fail with probability at most (1−δ0)k(1 - \delta_0)^k(1−δ0​)k; the fewest-mistakes selection loses at most γ\gammaγ with probability at least 1−2ke−mγ2/21 - 2k e^{-m\gamma^2/2}1−2ke−mγ2/2); Lemma 4.1 (the modest procedure: error at most g(β)g(\beta)g(β)).

Significance

Theorem 4.9 is one of the landmark results of learning theory: it shows that the PAC model has no intermediate strength, that Occam learning, weak learning and strong learning coincide, and that the resources of a strong learner can be bounded polylogarithmically in 1/ϵ1/\epsilon1/ϵ in memory and hypothesis size. Its constructive proof is the first boosting algorithm, ancestor of AdaBoost and of gradient boosting. Lemma 4.1 is the analytic core, a clean inequality about three hypotheses and three distributions in which the filtered distribution is exactly calibrated so that h1h_1h1​ has no advantage on it. The Chernoff bounds are the concentration inequalities invoked throughout the book, and their formalization on the product law of Bernoulli trials makes every later "estimate to within γ\gammaγ with confidence 1−δ1 - \delta1−δ" step reusable. None of these is machine-checked in this form; the boosting theorem in the sample-complexity sense is, to our knowledge, not formalized anywhere.

Difficulty

Lemma 4.1 is a computation with conditional measures: writing errorD\mathrm{error}_DerrorD​ of the majority as the weight of the instances on which h1h_1h1​ and h2h_2h2​ both err plus β3\beta_3β3​ times the weight of their disagreement, mapping weights under D2D_2D2​ back to DDD by the factors 2(1−β1)2(1 - \beta_1)2(1−β1​) and 2β12\beta_12β1​ (Equation (4.1)), and maximizing the resulting polynomial in β1,β2,β3,γ1,γ2\beta_1, \beta_2, \beta_3, \gamma_1, \gamma_2β1​,β2​,β3​,γ1​,γ2​; the degenerate cases where a conditioning event is null must be handled separately. The Chernoff bounds require the exponential moment method on a finite product measure. The confidence-boosting facts are the product bound for independent blocks and Hoeffding plus a union bound. The goal is a genuine construction: from a large sample of DDD one must simulate the recursive algorithm Strong-Learn, whose calls to the weak learner on filtered distributions are served by rejection sampling from the remaining examples, bound the depth of the recursion by the growth of g−1g^{-1}g−1 iterates (Lemma 4.2), bound the number of examples consumed at each node (Lemmas 4.3–4.7) and allocate the confidence over all the places the simulation can fail; then package the result as a deterministic function of a sample of fixed size. An alternative route is available: weak learnability with a fixed sample size forces a finite VC dimension (a class shattering a large set defeats any fixed-size learner on the uniform distribution over it), after which Theorem 3.3 gives a consistent strong learner; but its hypotheses lie in CCC, not in the majority trees over HHH, so it does not prove the stated conclusion.

Formalization scope

The weak-learning hypothesis is the book's with constants γ,δ0\gamma, \delta_0γ,δ0​ in place of the inverse polynomials, which is what the definition says for a fixed class; hypotheses in HHH are required to be measurable, and the weak learner jointly measurable in the sample and the instance, because Strong-Learn runs it on distributions filtered through its own earlier outputs and the analysis integrates over the earlier samples (for an arbitrary function the combined failure event need not be measurable, and outer-measure bounds on separate runs do not combine); the conclusion is the book's hypothesis class, the majority trees over HHH, built as an inductive predicate. Filtered distributions use Mathlib's conditional measure, so that a null conditioning event yields the zero measure; Lemma 4.1 is stated for 0≤β≤1/20 \le \beta \le 1/20≤β≤1/2 and holds in those degenerate cases too. The confidence-boosting milestone states the two probabilistic facts rather than the composite algorithm, whose sample indexing across runs and validation is bookkeeping; the selection rule is any rule minimizing mistakes. Chernoff's bounds are stated with non-strict inequalities in the events, for 0≤p≤10 \le p \le 10≤p≤1 and 0<γ≤10 < \gamma \le 10<γ≤1. Running time, the recursion-depth and sample-size lemmas with unspecified constants (4.2–4.8), and Exercises 4.1–4.3 are not stated.

Trivializing readings are excluded: the weak-learning guarantee is uniform over all targets and distributions with an advantage strictly positive, the strong conclusion is for every ϵ,δ\epsilon, \deltaϵ,δ, and Lemma 4.1 requires all three error bounds on their respective distributions. Welcome contributions: Lemma 4.1 itself, the Hoeffding bound on the product law, and the rejection-sampling lemma that turns a sample of DDD into a sample of a filtered distribution.

Selected references

  • M. J. Kearns, U. V. Vazirani, An Introduction to Computational Learning Theory, MIT Press, 1994, Chapter 4 and Chapter 9. doi:10.7551/mitpress/3897.001.0001
  • R. E. Schapire, The strength of weak learnability, Machine Learning 5(2), 1990. doi:10.1007/BF00116037
  • Y. Freund, Boosting a weak learning algorithm by majority, Information and Computation 121(2), 1995. doi:10.1006/inco.1995.1136
  • W. Hoeffding, Probability inequalities for sums of bounded random variables, Journal of the American Statistical Association 58(301), 1963. doi:10.1080/01621459.1963.10500830
  • H. Chernoff, A measure of asymptotic efficiency for tests of a hypothesis based on the sum of observations, Annals of Mathematical Statistics 23(4), 1952. doi:10.1214/aoms/1177729330
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Multi-armed Bandit Allocation Indices VI: Bandit Sampling Processes, Favourable Priors and Invariance of the IndexTextbook

Motivation

The bandit processes that motivated the index theorem are sampling processes: an arm is a population from which one draws i.i.d. observations whose distribution has an unknown parameter, and each draw both earns something and teaches something. Chapter 7 of Gittins, Glazebrook and Weber, Multi-armed Bandit Allocation Indices (2nd ed., doi:10.1002/9780470980033), develops the theory of such processes in the Bayesian setting: the state of the process is the current posterior for the parameter, continuing it samples the next value from the predictive distribution and moves to the new posterior. When the observations are themselves the rewards one has a reward process, the classical Bayesian multi-armed bandit; when the aim is to find as quickly as possible an individual whose measurement reaches a target TTT (a compound active enough to warrant further testing, in the drug-screening problem from which the index theorem came) one has a target process, which is a job that completes when the target is reached. Two questions organize the chapter. When can the index be written down without any optimization, and when do symmetries of the model reduce the index to a function of fewer variables? The first is answered by the notion of a favourable prior (Section 7.3): if no run of observations below the target can raise the current probability of success, then the index is that probability, exactly, by Proposition 2.7. The second is answered by the invariance theorems of Section 7.4: a location parameter with a conjugate prior gives ν(xˉ,n)=xˉ+ν(0,n)\nu(\bar x, n) = \bar x + \nu(0, n)ν(xˉ,n)=xˉ+ν(0,n), a scale parameter gives ν(xˉ,n)=xˉ ν(1,n)\nu(\bar x, n) = \bar x\,\nu(1, n)ν(xˉ,n)=xˉν(1,n), and for target processes the target can be absorbed into the state, ν(xˉ,n,T)=ν(xˉ−T,n,0)\nu(\bar x, n, T) = \nu(\bar x - T, n, 0)ν(xˉ,n,T)=ν(xˉ−T,n,0). These identities are what make the tables of Chapter 8 one-dimensional.

Setting

A sampling model consists of a likelihood f(⋅∣θ)f(\cdot \mid \theta)f(⋅∣θ), a family of priors π(⋅∣p)\pi(\cdot \mid p)π(⋅∣p) on the parameter indexed by the parameters ppp of a conjugate family, and the Bayes update p↦pxp \mapsto p_xp↦px​ of those parameters after observing xxx; the family is conjugate if the posterior of π(⋅∣p)\pi(\cdot \mid p)π(⋅∣p) given X=xX = xX=x is π(⋅∣px)\pi(\cdot \mid p_x)π(⋅∣px​). The predictive distribution is f(⋅∣p)=∫f(⋅∣θ)π(dθ∣p)f(\cdot \mid p) = \int f(\cdot \mid \theta)\pi(d\theta \mid p)f(⋅∣p)=∫f(⋅∣θ)π(dθ∣p). The reward process moves from ppp to pxp_xpx​ with x∼f(⋅∣p)x \sim f(\cdot \mid p)x∼f(⋅∣p) and earns r(p)=∫xf(x∣p)dxr(p) = \int x f(x \mid p)dxr(p)=∫xf(x∣p)dx. The target process with target TTT moves to the completion state CCC if x≥Tx \ge Tx≥T and to pxp_xpx​ otherwise, earning the current probability of success r(p)=f([T,∞)∣p)r(p) = f([T, \infty) \mid p)r(p)=f([T,∞)∣p), and 000 in CCC. A state ppp is favourable if r(px1⋯xm)≤r(p)r(p_{x_1 \cdots x_m}) \le r(p)r(px1​⋯xm​​)≤r(p) for every finite sequence of observations xi<Tx_i < Txi​<T. For the invariance theorems the parameters are (xˉ,n)(\bar x, n)(xˉ,n) with the update ((nxˉ+x)/(n+1),n+1)((n\bar x + x)/(n+1), n+1)((nxˉ+x)/(n+1),n+1); μ\muμ is a location parameter of the likelihood if f(⋅∣μ+c)f(\cdot \mid \mu + c)f(⋅∣μ+c) is f(⋅∣μ)f(\cdot \mid \mu)f(⋅∣μ) shifted by ccc, and xˉ\bar xxˉ is a location parameter of the prior family if π(⋅∣xˉ+c,n)\pi(\cdot \mid \bar x + c, n)π(⋅∣xˉ+c,n) is π(⋅∣xˉ,n)\pi(\cdot \mid \bar x, n)π(⋅∣xˉ,n) shifted by ccc; scale parameters are defined with x↦bxx \mapsto bxx↦bx, b>0b > 0b>0. The Gittins index is that of the Bandit Algorithms model on these chains.

Formalization targets

Goal: Theorem 7.9 (in the form of Corollary 7.10)

If μ\muμ is a location parameter of a reward process with a conjugate prior family in which xˉ\bar xxˉ is a location parameter and the parameters update as the sample mean and count, then for every n>0n > 0n>0

r(xˉ+c,n)=r(xˉ,n)+candν(xˉ,n)=xˉ+ν(0,n),r(\bar x + c, n) = r(\bar x, n) + c \quad\text{and}\quad \nu(\bar x, n) = \bar x + \nu(0, n),r(xˉ+c,n)=r(xˉ,n)+candν(xˉ,n)=xˉ+ν(0,n),

under the standing assumptions that the observations have a mean and the discounted rewards of the chain are integrable.

Milestones

Proposition 7.4 (favourable state: ν=r\nu = rν=r); Example 7.5 (Bernoulli target process, ν(α,β)=α/(α+β)\nu(\alpha, \beta) = \alpha/(\alpha + \beta)ν(α,β)=α/(α+β)); Example 7.6 (normal target process with known variance, ν(xˉ,n)=Φ(xˉ(1+n−1)−1/2)\nu(\bar x, n) = \Phi(\bar x (1 + n^{-1})^{-1/2})ν(xˉ,n)=Φ(xˉ(1+n−1)−1/2) for xˉ≥0\bar x \ge 0xˉ≥0); Theorem 7.11 (scale parameter: ν(xˉ,n)=xˉ ν(1,n)\nu(\bar x, n) = \bar x\,\nu(1, n)ν(xˉ,n)=xˉν(1,n)); Theorem 7.17 (target process with a location parameter: ν(xˉ,n,T)=ν(xˉ−T,n,0)\nu(\bar x, n, T) = \nu(\bar x - T, n, 0)ν(xˉ,n,T)=ν(xˉ−T,n,0)).

Significance

Theorem 7.9 and its companions are the reason the Gittins index of the normal reward process is tabulated as a function of nnn alone and that of the exponential process as a function of nnn and one ratio; every computational method of Chapter 8 starts by reducing the state space with them. Proposition 7.4 is the source of every closed-form index in the book: it identifies the states in which sampling for information is worthless, so that the index collapses to the immediate expected reward, and Examples 7.5 and 7.6 show that for the Bernoulli target process this is every state and for the normal target process every state with a nonnegative posterior mean. The formalization gives the platform its first Bayesian sampling-process model, in which the state is a posterior and conjugacy is stated through the posterior kernel of the likelihood, and its first index identities on unbounded-reward chains, which is where the integrability assumptions of the Bandit Algorithms model do real work.

None of this is machine-checked. The invariance theorems are stated in the proper-prior form of the corollaries, with the model's symmetry as hypotheses, so that they apply to any conjugate family with the stated structure rather than to a particular density.

Difficulty

The invariance theorems require showing that the chain of parameters from the shifted (scaled) state is the image of the chain from the original state under the shift (scaling) of trajectories, which is an equivariance of the Ionescu–Tulcea construction with respect to a measurable bijection commuting with the kernel; that stopping times are carried to stopping times; that the discounted reward of a stopping time shifts by ccc times the discounted time; and that the supremum of a nonempty bounded set of reals shifts and scales accordingly. Boundedness of the set of ratios is where the integrability assumption enters. Proposition 7.4 is the chain-level statement that all rewards along every trajectory from a favourable state are at most r(p)r(p)r(p), which needs an induction on the trajectory law of the target chain, followed by the argument of Proposition 2.7. Example 7.6 needs the monotonicity of xˉm(1+1/(n+m))−1/2\bar x_m (1 + 1/(n+m))^{-1/2}xˉm​(1+1/(n+m))−1/2 in the observations below the target, a small inequality, plus the Gaussian probability of a half-line as the current probability of success; Example 7.5 needs only that α/(α+β+m)\alpha/(\alpha + \beta + m)α/(α+β+m) decreases.

Formalization scope

The sampling model is a structure with Markov likelihood and prior kernels and a jointly measurable update; the predictive distribution is the kernel composition; conjugacy is an almost-everywhere identity between Mathlib's posterior of the likelihood with respect to the prior and the prior at the updated parameters, and is carried as a hypothesis of the invariance theorems and of Proposition 7.4 so that their subject is the Bayesian process. For the parameters (xˉ,n)(\bar x, n)(xˉ,n) it is required on n>0n > 0n>0 only (IsConjugateOn): a proper prior has n>0n > 0n>0, and conjugacy at every (xˉ,n)∈R2(\bar x, n) \in \mathbb{R}^2(xˉ,n)∈R2 is impossible with a location parameter, since at n=−1n = -1n=−1 the update divides by zero and sends every observation to one state, which made the first draft's location theorems vacuous. The chains are built with Kernel.map of product kernels, so their measurability is structural, and the target process lives on P ⊕ Unit with the completion state absorbing. The book's improper priors are replaced by proper conjugate families with the location or scale structure of Corollaries 7.10 and 7.12, as those corollaries do; the discrete-time correction factor of Section 2.8 is not applied since it cancels in every identity stated. The two examples are built directly from a uniform or Gaussian seed with the transition probabilities the book computes (the beta and normal posterior computations of Exercise 7.1 are not formalized). Hypotheses: a∈(0,1)a \in (0, 1)a∈(0,1); integrable observations and L&S Assumption 35.6 for the reward processes; n>0n > 0n>0 for the invariance theorems and xˉ>0\bar x > 0xˉ>0 for the scale theorem; α,β>0\alpha, \beta > 0α,β>0; xˉ≥0\bar x \ge 0xˉ≥0 and n>0n > 0n>0 for the normal example.

Trivializing readings are excluded: the indices are the genuine suprema of the Bandit Algorithms definition with integrable rewards, the update rule is the book's and not a free parameter, and the favourability condition ranges over all finite observation sequences. Welcome contributions: the equivariance of the trajectory measure under a state bijection commuting with the kernel, the transport of stopping times, and the reward bound along the target chain from a favourable state.

Selected references

  • J. Gittins, K. Glazebrook, R. Weber, Multi-armed Bandit Allocation Indices, 2nd ed., Wiley, 2011, Chapter 7. doi:10.1002/9780470980033
  • J. C. Gittins, D. M. Jones, A dynamic allocation index for the sequential design of experiments, in Progress in Statistics (J. Gani, ed.), North-Holland, 1974.
  • D. M. Jones, Search Procedures for Industrial Chemical Research, PhD thesis, University of Wales, 1975.
  • H. Raiffa, R. Schlaifer, Applied Statistical Decision Theory, Harvard University Press, 1961.
  • T. S. Ferguson, Mathematical Statistics: A Decision Theoretic Approach, Academic Press, 1967.
  • T. Lattimore, C. Szepesvári, Bandit Algorithms, Cambridge University Press, 2020, Chapters 34–35. doi:10.1017/9781108571401
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Multi-armed Bandit Allocation Indices V: Restless Bandits, Indexability and Whittle Indices for Monotone ModelsTextbook

Motivation

Every proof of the index theorem in Gittins, Glazebrook and Weber, Multi-armed Bandit Allocation Indices (2nd ed., doi:10.1002/9780470980033), uses the fact that a bandit not being processed is frozen. Chapter 6 drops that: Whittle's restless bandits evolve under the passive action too, by a different law, and mmm of nnn must be active at every time. The problem is PSPACE-hard in general, so Whittle proposed a heuristic built from a Lagrangian relaxation: replace the hard constraint by a subsidy WWW paid whenever a bandit is passive, solve the resulting single-bandit average-reward problem, and read off, for each state, the least subsidy W(x)W(x)W(x) at which the passive action becomes optimal. When the set of states where passivity is optimal grows monotonically with WWW, the bandit is indexable and W(x)W(x)W(x) is its Whittle index; the Whittle index policy activates the mmm bandits of largest index. It reduces to the Gittins index policy when the passive action freezes, it is asymptotically optimal as nnn grows under a fluid-stability condition (Weber and Weiss), and it has become the standard heuristic for sensor management, opportunistic channel access, maintenance and queueing control. The price is that indexability must be established model by model. Section 6.5 shows how easy this is when the single-bandit problem is solved by a monotone policy, on two bi-directional models: the spinning plates asset, which improves under investment and deteriorates when neglected, and the vigour bandit of Whittle's Ehrenfest project, which tires when worked and recovers when rested.

Setting

A restless bandit is a Markov decision process with two actions, active (u=1u = 1u=1) and passive (u=0u = 0u=0), each with its own transition kernel and reward. Under a deterministic stationary Markov policy ggg with passive subsidy WWW the reward in state xxx is r(x,g(x))+W(1−g(x))r(x, g(x)) + W(1 - g(x))r(x,g(x))+W(1−g(x)), and the average reward from xxx is the Cesàro limit of the expected rewards. The optimal average reward g(W)g(W)g(W) is the supremum over such policies and initial states; a policy is optimal if it attains g(W)g(W)g(W) from every initial state; E0(W)E_0(W)E0​(W) is the set of states in which some optimal policy is passive; the bandit is indexable if E0(W)E_0(W)E0​(W) is nondecreasing in WWW; and W(x)=inf⁡{W:x∈E0(W)}W(x) = \inf\{W : x \in E_0(W)\}W(x)=inf{W:x∈E0​(W)}.

The spinning plates asset lives on {1,…,k}\{1, \dots, k\}{1,…,k}: active moves x→x+1x \to x + 1x→x+1 at rate λ(x)\lambda(x)λ(x), passive moves x→x−1x \to x - 1x→x−1 at rate μ(x)\mu(x)μ(x), λ(k)=μ(1)=0\lambda(k) = \mu(1) = 0λ(k)=μ(1)=0, and r(x)r(x)r(x) is earned under both actions, rrr increasing. Uniformized so that rates are at most one, it is a discrete-time bandit whose kernels move with the rate's probability and otherwise stay. The monotone policy (y)(y)(y) is passive exactly on {x≥y}\{x \ge y\}{x≥y}; under it the asset alternates between y−1y - 1y−1 and yyy, spending the fraction ϕ(y)=λ(y−1)/(λ(y−1)+μ(y))\phi(y) = \lambda(y-1)/(\lambda(y-1) + \mu(y))ϕ(y)=λ(y−1)/(λ(y−1)+μ(y)) of its time at yyy, so its average reward is Wϕ(y)+R(y)W\phi(y) + R(y)Wϕ(y)+R(y) with R(y)=r(y)ϕ(y)+r(y−1)(1−ϕ(y))R(y) = r(y)\phi(y) + r(y-1)(1 - \phi(y))R(y)=r(y)ϕ(y)+r(y−1)(1−ϕ(y)), and W∗(x)=(R(x+1)−R(x))/(ϕ(x)−ϕ(x+1))W^*(x) = (R(x+1) - R(x))/(\phi(x) - \phi(x+1))W∗(x)=(R(x+1)−R(x))/(ϕ(x)−ϕ(x+1)). The vigour bandit is the mirror image: active moves down at rate ν(x)\nu(x)ν(x) and earns r(x)r(x)r(x), passive moves up at rate ρ(x)\rho(x)ρ(x) and earns nothing, ψ(y)=ν(y)/(ν(y)+ρ(y−1))\psi(y) = \nu(y)/(\nu(y) + \rho(y-1))ψ(y)=ν(y)/(ν(y)+ρ(y−1)), and W∗∗(x)=(r(x)(1−ψ(x))−r(x+1)(1−ψ(x+1)))/(ψ(x+1)−ψ(x))W^{**}(x) = (r(x)(1 - \psi(x)) - r(x+1)(1 - \psi(x+1)))/(\psi(x+1) - \psi(x))W∗∗(x)=(r(x)(1−ψ(x))−r(x+1)(1−ψ(x+1)))/(ψ(x+1)−ψ(x)).

Formalization targets

Goal: Theorem 6.4

For the spinning plates asset: (i) if ϕ\phiϕ is strictly decreasing over the thresholds 1≤y≤k+11 \le y \le k + 11≤y≤k+1, the asset is indexable; (ii) if additionally W∗W^*W∗ is strictly decreasing over the states, the Whittle index is

W(x)=W∗(x)=R(x+1)−R(x)ϕ(x)−ϕ(x+1),1≤x≤k.W(x) = W^*(x) = \frac{R(x+1) - R(x)}{\phi(x) - \phi(x+1)}, \qquad 1 \le x \le k.W(x)=W∗(x)=ϕ(x)−ϕ(x+1)R(x+1)−R(x)​,1≤x≤k.

Milestones

Eqs. (6.9)–(6.10): the monotone policy (y)(y)(y) earns Wϕ(y)+R(y)W\phi(y) + R(y)Wϕ(y)+R(y) from every initial state and g(W)=max⁡y[Wϕ(y)+R(y)]g(W) = \max_y [W\phi(y) + R(y)]g(W)=maxy​[Wϕ(y)+R(y)], because a monotone policy always achieves g(W)g(W)g(W); Theorem 6.5, the same two statements for the vigour bandit with ψ\psiψ increasing and W∗∗W^{**}W∗∗ increasing.

Significance

Theorem 6.4 is the chapter's template for proving indexability: the single-bandit value g(W)g(W)g(W) is the upper envelope of finitely many lines Wϕ(y)+R(y)W\phi(y) + R(y)Wϕ(y)+R(y) whose slopes decrease in the threshold, so the optimal threshold moves monotonically with the subsidy and the hinge points of the envelope are the indices. The same argument gives Theorem 6.5, the admission-control indices of Section 6.7, and the marginal productivity indices of Niño-Mora; it is the reason Whittle indices are computable in closed form for bi-directional models. Its formalization establishes, on the platform, the first restless-bandit model with a proved index, and the general notions of passive set, indexability and Whittle index that every later restless-bandit statement will use.

None of this is machine-checked. The average-reward optimality notion is stated without the DP equation (6.6), through optimality from every initial state, which is what the equation's solution encodes on a finite state space and avoids the relative value function altogether.

Difficulty

The proof in the book is two paragraphs, but it stands on the reduction to monotone policies, which is only sketched: every deterministic stationary policy, from every initial state, drives the asset into an absorbing endpoint or a two-state cycle {z−1,z}\{z - 1, z\}{z−1,z} whose average reward is that of the monotone policy (z)(z)(z), so no policy beats the best monotone one and the passive set under an optimal-from-everywhere policy is exactly {x≥x(W)}\{x \ge x(W)\}{x≥x(W)} for the smallest maximizing threshold. Formalizing this needs the average reward of a finite Markov chain as a limit determined by the stationary distribution of the recurrent class reached, for the two-point kernels of the model, and a case analysis of policies as {0,1}\{0,1\}{0,1}-strings. The envelope argument then needs that the smallest maximizer of max⁡y[Wϕ(y)+R(y)]\max_y [W\phi(y) + R(y)]maxy​[Wϕ(y)+R(y)] is nonincreasing in WWW when ϕ\phiϕ is strictly decreasing, and that with W∗W^*W∗ strictly decreasing the maximizer is ≤x\le x≤x exactly when W≥W∗(x)W \ge W^*(x)W≥W∗(x). Theorem 6.5 is the same with the roles of up and down exchanged. Nothing in Mathlib computes Cesàro limits of finite Markov chains.

Formalization scope

Restless bandits are the two-action DecisionProcesses of the superprocess module; average reward is a real limsup of Cesàro means of Bochner integrals over the chain law of the Bandit Algorithms model under the stationary kernel; the optimal average reward is a supremum over the finite type of deterministic stationary Markov policies and the finite state space, bounded by the reward bound. Both models are on Fin k with the book's states shifted down by one, kernels driftKernel p f that move to f x with probability p x, and the boundary conventions of ϕ\phiϕ and ψ\psiψ (the book's "convenient positive values") replaced by their values 1,01, 01,0 and 0,10, 10,1 at the two extreme thresholds; the model assumptions λ(k)=μ(1)=0\lambda(k) = \mu(1) = 0λ(k)=μ(1)=0, ν(1)=ρ(k)=0\nu(1) = \rho(k) = 0ν(1)=ρ(k)=0, rates in [0,1][0, 1][0,1], and rrr increasing and nonnegative are hypotheses. Theorem 6.5's "increasing" is read as strictly increasing, as in Theorem 6.4, since a nonstrict ψ\psiψ admits zero interior rates for which the monotone reduction fails. The milestone (6.9) requires k≥1k \ge 1k≥1 and positive interior rates, which Theorem 6.4's hypothesis (i) implies.

Trivializing readings are excluded: indexability is monotonicity of the passive set over all real subsidies, the passive set is defined through policies optimal from every initial state, and the index identity is for every state. Welcome contributions: the average reward of a two-state cycle, the reduction of an arbitrary {0,1}\{0,1\}{0,1}-policy to a monotone one, and the envelope lemma for lines with decreasing slopes.

Selected references

  • J. Gittins, K. Glazebrook, R. Weber, Multi-armed Bandit Allocation Indices, 2nd ed., Wiley, 2011, Chapter 6. doi:10.1002/9780470980033
  • P. Whittle, Restless bandits: activity allocation in a changing world, Journal of Applied Probability 25(A), 1988. doi:10.2307/3214163
  • R. R. Weber, G. Weiss, On an index policy for restless bandits, Journal of Applied Probability 27(3), 1990. doi:10.2307/3214547
  • K. D. Glazebrook, C. Kirkbride, D. Ruiz-Hernandez, Spinning plates and squad systems: policies for bi-directional restless bandits, Advances in Applied Probability 38(1), 2006. doi:10.1239/aap/1143936141
  • J. Niño-Mora, Restless bandits, partial conservation laws and indexability, Advances in Applied Probability 33(1), 2001. doi:10.1017/S0001867800010661
  • C. H. Papadimitriou, J. N. Tsitsiklis, The complexity of optimal queueing network control, Mathematics of Operations Research 24(2), 1999. doi:10.1287/moor.24.2.293
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Multi-armed Bandit Allocation Indices IV: The Achievable Region, Generalized Conservation Laws and the Adaptive Greedy AlgorithmTextbook

Motivation

Chapter 5 of Gittins, Glazebrook and Weber, Multi-armed Bandit Allocation Indices (2nd ed., doi:10.1002/9780470980033), presents the achievable region methodology of Tsoucas, Bertsimas and Niño-Mora, Glazebrook and Garbe, and Dacre, Glazebrook and Niño-Mora: instead of arguing about policies, one argues about the set of performance vectors they can produce. For a multi-armed bandit the natural performance of a policy is the vector of discounted numbers of times each state is continued; the expected return is linear in it; and the set of achievable performances turns out to be a polytope cut out by conservation laws, one inequality per subset of states, with equality exactly for the priority policies that put that subset last. Optimizing a linear objective over a polytope is a linear program, its dual is solved by an adaptive greedy algorithm, and the primal solution is the performance of a priority policy whose priorities are the algorithm's outputs, the Gittins indices. This gives yet another proof of the index theorem (Section 5.3) and, more importantly, a definition, generalized conservation laws (Section 5.4), of the class of systems for which the same argument works: branching bandits, multi-class queues, job scheduling with discounted rewards, systems with imposed priority classes. The chapter's main result, Theorem 5.5, is the statement that every such system is solved by an index policy.

Setting

There are NNN job types E={1,…,N}E = \{1, \dots, N\}E={1,…,N}. A policy π\piπ has a performance xπ∈R+Nx^\pi \in \mathbb{R}^N_+xπ∈R+N​, a vector of expectations; a permutation σ\sigmaσ of EEE defines the permutation policy giving σN\sigma_NσN​ highest and σ1\sigma_1σ1​ lowest priority, and Sk={σ1,…,σk}S_k = \{\sigma_1, \dots, \sigma_k\}Sk​={σ1​,…,σk​} is the set of the kkk lowest-priority types. The system satisfies GCL(1) if there are a base function b:2E→R+b : 2^E \to \mathbb{R}_+b:2E→R+​ and a matrix A=(AiS)A = (A_i^S)A=(AiS​), positive on SSS and zero off it, such that for every policy

∑i∈SAiSxiπ≥b(S)(S⊆E),∑i∈EAiExiπ=b(E),\sum_{i \in S} A_i^S x_i^\pi \ge b(S) \quad (S \subseteq E), \qquad \sum_{i \in E} A_i^E x_i^\pi = b(E),i∈S∑​AiS​xiπ​≥b(S)(S⊆E),i∈E∑​AiE​xiπ​=b(E),

with equality in the first for every permutation policy whose ∣S∣|S|∣S∣ lowest-priority types are SSS. GCL(2) reverses the inequality. The adaptive greedy algorithm AG(A,r)AG(A, r)AG(A,r) picks iNi_NiN​ maximizing ri/AiEr_i/A_i^Eri​/AiE​, sets yˉE\bar y_Eyˉ​E​ to the maximum, removes iNi_NiN​, and repeats with the adjusted rewards ri−∑j≥kAiSjyˉSjr_i - \sum_{j \ge k} A_i^{S_j}\bar y_{S_j}ri​−∑j≥k​AiSj​​yˉ​Sj​​ divided by AiSk−1A_i^{S_{k-1}}AiSk−1​​; its outputs are the order i1,…,iNi_1, \dots, i_Ni1​,…,iN​, the dual variables yˉSk\bar y_{S_k}yˉ​Sk​​ and the indices νik=∑j≥kyˉSj\nu_{i_k} = \sum_{j \ge k} \bar y_{S_j}νik​​=∑j≥k​yˉ​Sj​​.

For the SFABP of Section 5.3, nnn identical bandit processes on EEE with kernel PPP and discount factor aaa in the model of the Bandit Algorithms series, xiπ=Eπ∑tatIi(t)x_i^\pi = \mathbb{E}^\pi \sum_t a^t I_i(t)xiπ​=Eπ∑t​atIi​(t) is the discounted number of continuations of a bandit in state iii, AiS=E[1+a+⋯+aTiS−1]A_i^S = \mathbb{E}[1 + a + \cdots + a^{T_i^S - 1}]AiS​=E[1+a+⋯+aTiS​−1] is the discounted return time to SSS from i∈Si \in Si∈S, and b(S)b(S)b(S) is the minimal cost ∑i∈SAiSxiπ\sum_{i \in S} A_i^S x_i^\pi∑i∈S​AiS​xiπ​, namely (1−a)−1E[aτ](1-a)^{-1}\mathbb{E}[a^\tau](1−a)−1E[aτ] with τ\tauτ the number of continuations needed to bring every bandit into SSS.

Formalization targets

Goal: Theorem 5.5

For a GCL(1) system whose achievable region is convex, and any reward vector rrr: the achievable region is the polytope

P(A,b)={x∈R+N:∑i∈SAiSxi≥b(S), S⊂E, ∑i∈EAiExi=b(E)};P(A, b) = \Big\{x \in \mathbb{R}_+^N : \sum_{i \in S} A_i^S x_i \ge b(S),\ S \subset E,\ \sum_{i \in E} A_i^E x_i = b(E)\Big\};P(A,b)={x∈R+N​:i∈S∑​AiS​xi​≥b(S), S⊂E, i∈E∑​AiE​xi​=b(E)};

its extreme points are performances of permutation policies; AG(A,r)AG(A, r)AG(A,r) has an output; and for every output the permutation policy in the order it finds, the Gittins index policy, maximizes ∑irixiπ\sum_i r_i x_i^\pi∑i​ri​xiπ​ over all policies.

Milestones

Lemma 5.1 (the SFABP satisfies the conservation laws, with equality for policies giving priority to states outside SSS); the identification on p. 123 of the adaptive greedy indices of a SFABP with the Gittins indices, together with their monotonicity along the order found; Theorem 5.10, the GCL(2) counterpart of the goal for cost minimization.

Significance

Theorem 5.5 is the index theorem in its most general form of this kind: it says nothing about Markov chains, only that performances are expectations, objectives are linear and conservation laws hold, and it delivers both the optimal policy and the algorithm that computes its priorities in polynomial time in the number of job types. It is the theorem behind the index results for branching bandits and Klimov's multi-class queue and behind the suboptimality bounds of Sections 5.5 and 5.7, all of which are calculations on the polytope. Lemma 5.1 and the p. 123 identification are what tie the abstract theorem to the Gittins index: they show that the multi-armed bandit is a GCL(1) system and that the priorities the algorithm produces are the same indices as Chapters 2 to 4 define through stopping times.

None of these is machine-checked. Formalizing Theorem 5.5 puts an LP-duality index theorem on the platform in a form any system can instantiate by verifying its conservation laws; formalizing Lemma 5.1 relates the Bandit Algorithms run law to the single-chain return times, which is the first conservation law on that model; and the p. 123 theorem gives an algorithmic characterization of the Gittins index on finite chains, distinct from the restart and largest-remaining-index characterizations of Chapter 2.

Difficulty

The goal's optimality clause is weak LP duality once one shows that the greedy dual variables are nonpositive except yˉE\bar y_Eyˉ​E​ and satisfy the dual constraints with equality, which is a finite induction on the stages; the extreme-point clause needs that every vertex of a polyhedron is the unique maximizer of some linear functional, and the region clause that a compact convex set is the convex hull of its extreme points (Krein–Milman in finite dimension, or the polyhedral fact directly). None of this is in Mathlib in the required form. Lemma 5.1 is probabilistic: the lower bound requires the strong Markov property of the continued bandit under an arbitrary past-measurable policy, a pathwise accounting of the discounted periods paid for by each continuation from SSS, and the observation that at most τ\tauτ slots can be spent on bandits that have never been in SSS; the equality for priority policies requires that these policies use exactly those slots first and then tile the future with return excursions, and the product form of b(S)b(S)b(S) requires independence of the bandits' process-time trajectories under the run law, which is built decision time by decision time rather than as a product. The p. 123 theorem is the computation (5.13) to (5.14) combined with the optimal-stopping characterization of Chapter 2 for the stop sets {i1,…,ik−2}\{i_1, \dots, i_{k-2}\}{i1​,…,ik−2​}, which lie between {ν<ν(ik−1)}\{\nu < \nu(i_{k-1})\}{ν<ν(ik−1​)} and {ν≤ν(ik−1)}\{\nu \le \nu(i_{k-1})\}{ν≤ν(ik−1​)}; ties make the induction delicate, and the statement is claimed for every tie-breaking.

Formalization scope

GCL(1) and GCL(2) systems are structures over an arbitrary policy type: performance, base function, matrix, permutation policies and the three laws are fields, so the theorems are statements about finite-dimensional data and the platform's proof needs no probability. The adaptive greedy algorithm is specified relationally, as the set of its possible outputs with arbitrary tie-breaking, and the conclusion holds for each of them; existence of an output is asserted separately. The optimality clause is stated as a comparison with every policy rather than as a real supremum. The hypothesis that the achievable region is convex is explicit: the book's argument from extreme points to the whole polytope uses randomization of policies, and without it the region of a system with only its permutation policies is finite. The SFABP items use nnn identical bandits on Fin N in the Bandit Algorithms model, the coefficients AiSA_i^SAiS​ through Mission I's stoppedTime at the return time, and b(S)b(S)b(S) in the product form (1−a)−1∏j:kj∉SE[aTkjS](1-a)^{-1}\prod_{j : k_j \notin S}\mathbb{E}[a^{T^S_{k_j}}](1−a)−1∏j:kj​∈/S​E[aTkj​S​], which is the minimal cost the argument on p. 120 establishes; the book prints a sum, which is 000 when all bandits start in SSS where the minimal cost is 1/(1−a)1/(1-a)1/(1−a). Discount factors are in (0,1)(0, 1)(0,1) throughout.

Trivializing readings are excluded: AiS>0A_i^S > 0AiS​>0 for i∈Si \in Si∈S is part of the structure and of Lemma 5.1's conclusion, the polytope equations are over all subsets, and the index clause quantifies over every greedy output. Welcome contributions: the nonpositivity and dual feasibility of the greedy variables, the vertex-exposure lemma for polyhedra, and the product decomposition of the run law of identical bandits.

Selected references

  • J. Gittins, K. Glazebrook, R. Weber, Multi-armed Bandit Allocation Indices, 2nd ed., Wiley, 2011, Chapter 5. doi:10.1002/9780470980033
  • D. Bertsimas, J. Niño-Mora, Conservation laws, extended polymatroids and multiarmed bandit problems; a polyhedral approach to indexable systems, Mathematics of Operations Research 21(2), 1996. doi:10.1287/moor.21.2.257
  • P. Tsoucas, The region of achievable performance in a model of Klimov, IBM Research Report RC16543, 1991.
  • E. G. Coffman, I. Mitrani, A characterization of waiting time performance realizable by single-server queues, Operations Research 28(3), 1980. doi:10.1287/opre.28.3.810
  • K. D. Glazebrook, R. Garbe, Almost optimal policies for stochastic systems which almost satisfy conservation laws, Annals of Operations Research 92, 1999. doi:10.1023/A:1018992306696
  • T. Lattimore, C. Szepesvári, Bandit Algorithms, Cambridge University Press, 2020, Chapter 35. doi:10.1017/9781108571401
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Introduction to Multi-Armed Bandits XI: Bandits and Agents, Incentivized Exploration via Hidden ExplorationTextbook

Motivation

A recommendation system learns from the users it serves: the diner who tries a restaurant produces the review the next diner reads. Each user would rather exploit what is already known than explore for the benefit of those who come later, so a population of self-interested agents under-explores, and an alternative that looks bad on sparse early evidence may never be tried again even when it is the best. Chapter 11 of Slivkins, Introduction to Multi-Armed Bandits (arXiv:1904.07272), treats incentivized exploration: a principal who cannot force the agents but can recommend, and who, because it aggregates what earlier agents observed, knows more than any one of them. The question is whether recommendations alone can induce enough exploration to learn as fast as an ordinary bandit algorithm. The model is that of Kremer, Mansour and Perry (JPE 2014) and the results are those of Mansour, Slivkins and Syrgkanis (EC 2015, Operations Research 2020), specialized to two arms; the single-round problem is Bayesian persuasion in the sense of Kamenica and Gentzkow (AER 2011).

Setting

There are KKK arms and TTT rounds. A mean reward vector μ∈[0,1]K\mu \in [0,1]^Kμ∈[0,1]K is drawn from a known prior PPP, and each pull of arm aaa yields a reward drawn from a known family DμaD_{\mu_a}Dμa​​ with mean μa\mu_aμa​. In round ttt the principal recommends an arm rect\mathrm{rec}_trect​; agent ttt, who knows the prior, the family, the algorithm and the round but not the past, sees only rect\mathrm{rec}_trect​, chooses ata_tat​, collects rt∼Dμatr_t \sim D_{\mu_{a_t}}rt​∼Dμat​​​ and leaves; the principal observes (at,rt)(a_t, r_t)(at​,rt​). The chapter works with two arms, ordered so that the prior means satisfy μ10≥μ20\mu^0_1 \ge \mu^0_2μ10​≥μ20​, with a prior of finite support and finitely many reward values.

An algorithm is Bayesian incentive-compatible (BIC, Definition 11.4) if following its recommendation is in every agent's interest given what the agent knows: for every round ttt and arms a≠a′a \ne a'a=a′ with Pr⁡[rect=a,Et−1]>0\Pr[\mathrm{rec}_t = a, E_{t-1}] > 0Pr[rect​=a,Et−1​]>0,

E[μa−μa′∣rect=a, Et−1]≥0,(11.1)\mathbb{E}[\mu_a - \mu_{a'} \mid \mathrm{rec}_t = a,\ E_{t-1}] \ge 0, \tag{11.1}E[μa​−μa′​∣rect​=a, Et−1​]≥0,(11.1)

where Et−1E_{t-1}Et−1​ is the event that all previous agents complied. A BIC algorithm is then an ordinary bandit algorithm whose recommendations are followed, and the run has the law of the Bayesian bandit of Chapter 3. Two contrasting policies frame the chapter. GREEDY reveals the history and lets agents exploit, at∈arg⁡max⁡aE[μa∣Ht]a_t \in \arg\max_a \mathbb{E}[\mu_a \mid H_t]at​∈argmaxa​E[μa​∣Ht​] (11.2); it is BIC and it fails. HiddenExploration (Algorithm 11.1) hides a little exploration in a lot of exploitation: on a signal sig\mathrm{sig}sig, with probability ε\varepsilonε it recommends a target arm atrg(sig)a_{\mathrm{trg}}(\mathrm{sig})atrg​(sig), otherwise the arm maximizing E[μa∣sig]\mathbb{E}[\mu_a \mid \mathrm{sig}]E[μa​∣sig], ties to arm 1. Its posterior gap is G=E[μ2−μ1∣sig]G = \mathbb{E}[\mu_2 - \mu_1 \mid \mathrm{sig}]G=E[μ2​−μ1​∣sig]. RepeatedHE (Algorithm 11.2) runs it round after round with an arbitrary bandit algorithm ALG\mathrm{ALG}ALG as the target: N0N_0N0​ initial rounds recommend arm 1; afterwards, with probability ε\varepsilonε the round is an exploration round in which ALG\mathrm{ALG}ALG chooses (and is fed the reward), and otherwise the exploitation branch recommends min⁡arg⁡max⁡aE[μa∣St]\min\arg\max_a \mathbb{E}[\mu_a \mid S_t]minargmaxa​E[μa​∣St​], where StS_tSt​ is the data of all exploration rounds so far (11.10). The quantity that governs everything is G1,n=E[μ2−μ1∣S1,n]G_{1,n} = \mathbb{E}[\mu_2 - \mu_1 \mid S_{1,n}]G1,n​=E[μ2​−μ1​∣S1,n​] (11.11), the posterior gap after nnn samples of arm 1, and Property (11.12), that Pr⁡[G1,n>0]>0\Pr[G_{1,n} > 0] > 0Pr[G1,n​>0]>0 for some nnn: arm 2 can appear better after enough samples of arm 1.

Formalization targets

Goal: Theorem 11.15

RepeatedHE with exploration probability ε>0\varepsilon > 0ε>0 and N0N_0N0​ initial samples of arm 1 is BIC as long as

ε<13 E[G⋅1{G>0}],G=GN0+1=E[μ2−μ1∣S1,N0],\varepsilon < \tfrac13\,\mathbb{E}\big[G \cdot \mathbf 1\{G > 0\}\big], \qquad G = G_{N_0+1} = \mathbb{E}[\mu_2 - \mu_1 \mid S_{1,N_0}],ε<31​E[G⋅1{G>0}],G=GN0​+1​=E[μ2​−μ1​∣S1,N0​​],

for any bandit algorithm ALG\mathrm{ALG}ALG and any horizon. The threshold depends on the prior alone.

Milestones

Theorem 11.7 (GREEDY never chooses arm 2 with probability at least μ10−μ20\mu^0_1 - \mu^0_2μ10​−μ20​) and Corollary 11.8 (linear Bayesian regret of GREEDY under independent priors); Lemma 11.10 (HiddenExploration is BIC when ε≤13E[G1{G>0}]\varepsilon \le \frac13\mathbb{E}[G\mathbf 1\{G > 0\}]ε≤31​E[G1{G>0}]) with Claim 11.12 (the arm-2 side of the constraint suffices); Corollary 11.14 (RepeatedHE is BIC under the round-by-round condition); Theorem 11.19 (without Property (11.12) no BIC algorithm ever plays arm 2, ties to arm 1).

Significance

The results say when exploration can be incentivized at all and how. Theorem 11.7 shows that revealing everything is not a solution: the greedy dynamics gets stuck on arm 1 with a probability that does not shrink with TTT, and Corollary 11.8 turns that into Ω(T)\Omega(T)Ω(T) Bayesian regret. Theorem 11.15 shows that a recommendation-only principal can induce any amount of exploration it wants, with ALG\mathrm{ALG}ALG arbitrary, at a per-round rate ε\varepsilonε fixed by the prior; Theorem 11.17 (stated with a proof sketch, and omitted here) then transfers ALG\mathrm{ALG}ALG's regret to RepeatedHE up to the prior-dependent factors N0N_0N0​ and 1/ε1/\varepsilon1/ε, so O~(T)\tilde O(\sqrt T)O~(T​) regret is attainable subject to incentives. Theorem 11.19 closes the picture: Property (11.12) is necessary as well as sufficient. Together they characterize which priors admit incentivized exploration and give an algorithm that works for all of them.

Nothing of this is machine-checked. The mission adds to the Bayesian layer of mission III (prior, posterior by Bayes' rule, Bayesian regret) the BIC constraint on a joint law, GREEDY as a policy, the single-round HiddenExploration on an abstract finite signal, and the law of RepeatedHE; all of it is reusable for the KKK-arm and the "explore all explorable arms" extensions of the literature review.

Difficulty

Theorem 11.7 is a martingale argument: the posterior gap along the history is a Doob martingale, the first round in which arm 2 is chosen is a bounded stopping time, and optional stopping gives E[Zτ]=μ10−μ20\mathbb{E}[Z_\tau] = \mu^0_1 - \mu^0_2E[Zτ​]=μ10​−μ20​; all of this has to be set up on the joint law of (μ,HT)(\mu, H_T)(μ,HT​) of mission III, where the posterior is defined by Bayes' rule and the identification with a conditional expectation is itself a theorem (posterior_eq_condProb). Lemma 11.10 is the heart of the chapter and is not a computation about rec\mathrm{rec}rec: it works with F(E)=E[G1E]F(E) = \mathbb{E}[G\mathbf 1_E]F(E)=E[G1E​], splits along the two branches, uses that the exploitation branch recommends arm 2 exactly when G>0G > 0G>0, and closes with F(G>0)+F(G<0)=E[μ2−μ1]≤0F(G > 0) + F(G < 0) = \mathbb{E}[\mu_2 - \mu_1] \le 0F(G>0)+F(G<0)=E[μ2​−μ1​]≤0; the only place where the analysis uses that both branches are functions of the signal is the step E[μ2−μ1∣rec=2]=E[G∣rec=2]\mathbb{E}[\mu_2 - \mu_1 \mid \mathrm{rec} = 2] = \mathbb{E}[G \mid \mathrm{rec} = 2]E[μ2​−μ1​∣rec=2]=E[G∣rec=2], and a formalization has to make that step explicit. Theorem 11.15 requires seeing each later round of RepeatedHE as a HiddenExploration with signal StS_tSt​, where ALG\mathrm{ALG}ALG's choice is a randomized function of StS_tSt​, and then the monotonicity of E[Gt1{Gt>0}]\mathbb{E}[G_t\mathbf 1\{G_t > 0\}]E[Gt​1{Gt​>0}] in ttt, a two-line consequence of St+1S_{t+1}St+1​ determining StS_tSt​ that presupposes the posterior given StS_tSt​ is the Bayes posterior of the exploration data alone, which is true because the exploration decisions do not depend on μ\muμ given that data. Corollary 11.8 needs the independence of the event "μ1<1−2α\mu_1 < 1 - 2\alphaμ1​<1−2α and arm 2 is never chosen" from μ2\mu_2μ2​. Theorem 11.19 is an induction in which the inductive hypothesis is a probability-zero statement about all earlier rounds.

Formalization scope

Arms are Fin 2, the book's arm 1 being index 0; rounds are Fin T. The prior is a probability measure on mean vectors supported on a finite set F⊆[0,1]2F \subseteq [0,1]^2F⊆[0,1]2, with μ10≥μ20\mu^0_1 \ge \mu^0_2μ10​≥μ20​ as a hypothesis; the reward family is mission III's RewardFamily (finitely many values, mean ν\nuν for ν∈[0,1]\nu \in [0,1]ν∈[0,1]). BIC is defined on a joint law of (μ,record)(\mu, \text{record})(μ,record) of the run in which every agent complies, with the recommendation of each round read off the record; the compliance event Et−1E_{t-1}Et−1​ of (11.1) is the sure event of that law, which is the standard reading of "the agents believe all previous agents complied". For a bandit policy the law is mission III's jointMeasure. Conditional expectations are written as finite sums over FFF, so there are no integrals and no integrability side conditions; a posterior mean off the support is a junk 000 that never enters a theorem. GREEDY allows arbitrary tie-breaking; HiddenExploration's exploitation branch breaks ties toward arm 1 as Algorithm 11.1 does; the tie convention of Theorem 11.19 is the strict form of BIC for arm 2. The law of RepeatedHE is an explicit finitely supported measure, μ\muμ and record weighted by the prior times the product of the round probabilities (initial rounds forced to arm 1, then the ε\varepsilonε-coin, ALG\mathrm{ALG}ALG's kernel on its own history, or the exploitation arm, then DμatD_{\mu_{a_t}}Dμat​​​); it is written this way because ALG\mathrm{ALG}ALG is fed a history of variable length. Two conditions are stated exactly as printed: Lemma 11.10 with ε≤13E[G1{G>0}]\varepsilon \le \frac13\mathbb{E}[G\mathbf 1\{G > 0\}]ε≤31​E[G1{G>0}] (non-strict, checked at equality) and Theorem 11.15 with the strict inequality.

Trivializations are excluded: ε>0\varepsilon > 0ε>0 throughout; the BIC condition is asserted only where the recommendation has positive probability, and the sums in it are over the finite support, so an unsatisfiable hypothesis cannot hide in a measure-zero set. Welcome contributions: the optional-stopping argument on jointMeasure, the identification of explPostMean with the conditional expectation given the exploration data, the Bayes-rule algebra behind Lemma 11.10, and the counting lemmas on heRecords.

Selected references

  • A. Slivkins, Introduction to Multi-Armed Bandits, Foundations and Trends in Machine Learning 12(1-2), 2019, Chapter 11. arXiv:1904.07272, doi:10.1561/2200000068
  • I. Kremer, Y. Mansour, M. Perry, Implementing the "Wisdom of the Crowd", Journal of Political Economy 122(5), 2014. doi:10.1086/676597
  • Y. Mansour, A. Slivkins, V. Syrgkanis, Bayesian Incentive-Compatible Bandit Exploration, Operations Research 68(4), 2020 (EC 2015). doi:10.1287/opre.2019.1919
  • E. Kamenica, M. Gentzkow, Bayesian Persuasion, American Economic Review 101(6), 2011. doi:10.1257/aer.101.6.2590
  • M. Sellke, A. Slivkins, The Price of Incentivizing Exploration: A Characterization via Thompson Sampling and Sample Complexity, Operations Research 71(5), 2023. doi:10.1287/opre.2022.2401
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Inventory Control VIII: The Clark-Scarf Decomposition for a Serial SystemTextbook

Safety stock in a chain

Chapter 10 of Axsäter's Inventory Control turns to reorder points and safety stocks in multi-echelon systems, where the installations cannot be treated separately: a large stock downstream lets an upstream site run lean, and a long upstream lead-time argues for stock at the top. The best-known exact technique for serial systems is the decomposition of Clark and Scarf (1960), which the book presents in the infinite-horizon form of Federgruen and Zipkin (1984). It is also where the echelon stock measure comes from. The section's argument is short and self-contained, and its conclusion is a complete description of the optimal policy for a two-level serial system: order-up-to levels at both installations, one of them a newsboy solution, the other the minimizer of a convex function in which upstream shortages appear as an induced cost. It is the capstone of Chapter 10.

Setting

Installation 1 faces normally distributed period demand with mean μ\muμ and standard deviation σ\sigmaσ, independent across periods, so the demand over nnn periods, D(n)D(n)D(n), is normal with mean nμn\munμ and standard deviation n σ\sqrt n\,\sigman​σ. Installation 1 replenishes from installation 2 with lead-time L1L_1L1​ periods; installation 2 replenishes from an outside supplier with infinite supply and lead-time L2L_2L2​. Demand that cannot be met is backordered. Costs per unit and period are echelon holding costs e1,e2≥0e_1, e_2 \ge 0e1​,e2​≥0, so the installation holding costs are h1=e1+e2h_1 = e_1 + e_2h1​=e1​+e2​ and h2=e2h_2 = e_2h2​=e2​, and a shortage cost b1b_1b1​ at installation 1; there are no ordering costs. Events in a period occur in the order: installation 2 orders, its delivery arrives, installation 1 orders, its delivery arrives, demand, cost evaluation.

Consider an arbitrary period ttt. After ordering, installation 2 has an echelon inventory position y2y_2y2​, and by the standard argument its echelon stock in period t+L2t + L_2t+L2​ is y2−D(L2)y_2 - D(L_2)y2​−D(L2​). Installation 1 then orders, realizing an echelon position y1y_1y1​ that cannot exceed what is available: y1≤y2−D(L2)y_1 \le y_2 - D(L_2)y1​≤y2​−D(L2​) (Eq. 10.1). Its inventory level after the demand in period t+L2+L1t + L_2 + L_1t+L2​+L1​ is y1−D(L1+1)y_1 - D(L_1+1)y1​−D(L1​+1). The expected period costs are C2=h2 E(y2−D(L2)−y1)C_2 = h_2\,\mathbb{E}(y_2 - D(L_2) - y_1)C2​=h2​E(y2​−D(L2​)−y1​) at installation 2 and C1=h1 E(y1−D(L1+1))++b1 E(y1−D(L1+1))−C_1 = h_1\,\mathbb{E}(y_1 - D(L_1+1))^{+} + b_1\,\mathbb{E}(y_1 - D(L_1+1))^{-}C1​=h1​E(y1​−D(L1​+1))++b1​E(y1​−D(L1​+1))− at installation 1, and the book reallocates the term −h2y1-h_2y_1−h2​y1​ to obtain

C~2(y2)=h2(y2−μ2′),C~1(y1)=e1y1−h1μ1′′+(h1+b1) E(y1−D(L1+1))−,\tilde C_2(y_2) = h_2(y_2 - \mu_2'), \qquad \tilde C_1(y_1) = e_1y_1 - h_1\mu_1'' + (h_1 + b_1)\,\mathbb{E}\big(y_1 - D(L_1+1)\big)^{-},C~2​(y2​)=h2​(y2​−μ2′​),C~1​(y1​)=e1​y1​−h1​μ1′′​+(h1​+b1​)E(y1​−D(L1​+1))−,

with μ2′=L2μ\mu_2' = L_2\muμ2′​=L2​μ and μ1′′=(L1+1)μ\mu_1'' = (L_1+1)\muμ1′′​=(L1​+1)μ. As a function of a free y^1\hat y_1y^​1​, C~1\tilde C_1C~1​ is the newsboy-type function C^1\hat C_1C^1​ of Eq. (10.6), minimized at the level S1=y^1∗S_1 = \hat y_1^{*}S1​=y^​1∗​ given by the fractile equation (10.8). Passing everything available up to S1S_1S1​ to installation 1, y1=min⁡{S1,y2−D(L2)}y_1 = \min\{S_1, y_2 - D(L_2)\}y1​=min{S1​,y2​−D(L2​)}, gives the total cost C^2(y2)\hat C_2(y_2)C^2​(y2​) of Eq. (10.9), whose minimizer S2=y2∗S_2 = y_2^{*}S2​=y2∗​ is the order-up-to level of installation 2.

Formalization targets

Goal — the decomposition

With S1S_1S1​ from (10.8) and S2S_2S2​ a minimizer of C^2\hat C_2C^2​: for every y2y_2y2​ and every allocation rule aaa with a(u)≤y2−ua(u) \le y_2 - ua(u)≤y2​−u and finite expected cost,

C^2(S2)  ≤  E[C~2(y2)+C~1(a(D(L2)))],\hat C_2(S_2) \;\le\; \mathbb{E}\big[\tilde C_2(y_2) + \tilde C_1(a(D(L_2)))\big],C^2​(S2​)≤E[C~2​(y2​)+C~1​(a(D(L2​)))],

and the order-up-to policy (S1,S2)(S_1, S_2)(S1​,S2​) attains C^2(S2)\hat C_2(S_2)C^2​(S2​).

Supporting targets

Eq. (10.3), the stage-1 period cost through the expected backorders; the reallocation (10.4)-(10.5), which leaves the total unchanged; the closed form (10.6) of C^1\hat C_1C^1​ through the loss function GGG; the convexity of C^1\hat C_1C^1​, its derivative (10.7), and the fractile characterization (10.8) of its minimizers; the pointwise rule that min⁡{S1,y2−u}\min\{S_1, y_2 - u\}min{S1​,y2​−u} is the cheapest feasible y1y_1y1​; the identity (10.9); and the convexity of C^2\hat C_2C^2​ (Problem 10.1) with the existence of its minimizer when e2>0e_2 > 0e2​>0.

Significance

The result itself. The decomposition reduces a two-dimensional stochastic control problem to two one-dimensional convex problems solved in sequence, from downstream to upstream, and it identifies the optimal policy class. The downstream level S1S_1S1​ is a newsboy solution with overage cost e1e_1e1​, the value added, and underage cost e2+b1e_2 + b_1e2​+b1​, and it is independent of the upstream installation altogether; the upstream level S2S_2S2​ sees the downstream installation only through the induced shortage cost, the last term of (10.9). The book notes the extensions the argument admits, to more echelons, to batch ordering at the top, and, via Rosling's equivalence, to assembly systems, and its Sect. 10.1.2 adapts it, now only approximately, to distribution systems under the balance assumption. Example 10.1 shows the typical outcome: the optimal average stock at the upstream installation is slightly negative.

Formalizing it. The section's mathematics is a chain of expectations under Gaussian laws and two convexity arguments. Formalizing it fixes what "optimal" means, a per-period comparison against every allocation rule, and separates the two convexity claims the book makes in one clause each. Nothing here is open; no statement has a machine-checked proof yet.

Difficulty

The pointwise allocation rule and the newsboy fractile are the same arguments as in the newsboy mission. The two places where work is needed are the identity (10.9), an expectation of a piecewise function split at u=y2−S1u = y_2 - S_1u=y2​−S1​, and the convexity of C^2\hat C_2C^2​, which requires seeing that x↦C^1(min⁡{S1,x})x \mapsto \hat C_1(\min\{S_1, x\})x↦C^1​(min{S1​,x}) is convex precisely because S1S_1S1​ is a minimizer of the convex C^1\hat C_1C^1​ (for any other cut-off the function is not convex), and that convexity is preserved by integrating against the law of D(L2)D(L_2)D(L2​), which needs the integrability of the linearly growing C^1\hat C_1C^1​. Existence of S2S_2S2​ then follows from the growth of C^2\hat C_2C^2​ at both ends, which comes from the asymptotics of the loss function: G(z)→0G(z) \to 0G(z)→0 as z→∞z \to \inftyz→∞ and G(z)+z→0G(z) + z \to 0G(z)+z→0 as z→−∞z \to -\inftyz→−∞.

Formalization scope

D(n)D(n)D(n) is csDemand mu sigma n, the Gaussian law newsboyDemand (n μ) (√n σ) from the newsboy mission, so the loss function GGG and its closed form are reused as references. The costs are parametrized by e1,e2,b1e_1, e_2, b_1e1​,e2​,b1​ with h1=e1+e2h_1 = e_1 + e_2h1​=e1​+e2​ and h2=e2h_2 = e_2h2​=e2​ written out; C~1\tilde C_1C~1​, C~2\tilde C_2C~2​, the pre-reallocation period cost and C^2\hat C_2C^2​ are Bochner integrals against these laws. Every statement assumes σ>0\sigma > 0σ>0; the goal and the convexity statements assume e1,e2≥0e_1, e_2 \ge 0e1​,e2​≥0 and b1>0b_1 > 0b1​>0, the book's cost signs. L2=0L_2 = 0L2​=0 is allowed and makes D(L2)D(L_2)D(L2​) a point mass, which is the setting of the book's Problem 10.2.

S1S_1S1​ enters as any solution of the fractile equation (10.8) and S2S_2S2​ as any minimizer of C^2\hat C_2C^2​; the other items show that both exist when e1,e2>0e_1, e_2 > 0e1​,e2​>0. When e1=0e_1 = 0e1​=0 the fractile is 111, no S1S_1S1​ exists, and the goal is vacuous, which is faithful: the book observes that then S1→∞S_1 \to \inftyS1​→∞ and installation 2 never carries stock. Symmetrically, when e2=0e_2 = 0e2​=0 and L2≥1L_2 \ge 1L2​≥1, C^2\hat C_2C^2​ decreases towards its infimum without attaining it, so no S2S_2S2​ exists and the goal is again vacuous: with free upstream holding the optimal y2y_2y2​ is unbounded. Allocation rules are arbitrary functions of the realized D(L2)D(L_2)D(L2​) with an integrability hypothesis; without it Lean's integral of a non-integrable cost would be 000 and could undercut C^2(S2)\hat C_2(S_2)C^2​(S2​), which is negative in Example 10.1's stage-1 term.

What is not modelled is the infinite-horizon dynamic problem: the book's optimality claim is made period by period, and the passage to the stationary policy rests on the remark that the outside supplier has infinite supply, so the same y2y_2y2​ can be chosen in every period. The definitions are reusable for the three-echelon extension and for the distribution system of Sect. 10.1.2; contributions formalizing Problem 10.2 (L2=0L_2 = 0L2​=0) as a first step are welcome.

Selected references

  • Sven Axsäter, Inventory Control, 3rd edition, International Series in Operations Research & Management Science 225, Springer, 2015, Sect. 10.1.1. DOI 10.1007/978-3-319-15729-0
  • Andrew J. Clark and Herbert Scarf, Optimal Policies for a Multi-Echelon Inventory Problem, Management Science 6(4), 1960, pp. 475-490. DOI 10.1287/mnsc.6.4.475
  • Awi Federgruen and Paul Zipkin, Computational Issues in an Infinite-Horizon, Multiechelon Inventory Model, Operations Research 32(4), 1984, pp. 818-836. DOI 10.1287/opre.32.4.818
  • Kaj Rosling, Optimal Inventory Policies for Assembly Systems under Random Demands, Operations Research 37(4), 1989, pp. 565-579. DOI 10.1287/opre.37.4.565
  • Geert-Jan van Houtum, Karl Inderfurth and Willem H. M. Zijm, Materials Coordination in Stochastic Multi-Echelon Systems, European Journal of Operational Research 95(1), 1996, pp. 1-23. DOI 10.1016/0377-2217(96)00080-8
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Fundamentals of Supply Chain Theory V: The Bullwhip EffectTextbook

Why orders swing more than sales

Procter & Gamble observed in the 1990s that the orders its distributors placed for diapers were far more variable than the retail sales of diapers, and that its own orders to suppliers were more variable still, although the end demand for diapers is about as stable as demand gets. The phenomenon, a growing amplification of variability as one moves upstream in a supply chain, is the bullwhip effect. Lee, Padmanabhan and Whang (1997) argued that it is not a symptom of irrational behaviour: four rational responses of an inventory manager to their own environment each produce it. Chapter 13 of Snyder and Shen's Fundamentals of Supply Chain Theory (2019) makes three of the four quantitative, following Chen, Drezner, Ryan and Simchi-Levi (2000) for demand signal processing, Lee et al. for the rationing game, and Cachon (1999) for order batching. This mission formalizes those three models and the theorems the chapter proves about them.

Setting

Demand signal processing. A retailer faces a demand process DtD_tDt​, t∈Zt \in \mathbb{Z}t∈Z, that follows the stationary first-order autoregressive model

Dt=d+ρDt−1+ϵt,D_t = d + \rho D_{t-1} + \epsilon_t,Dt​=d+ρDt−1​+ϵt​,

with a constant d≥0d \ge 0d≥0, a correlation constant −1<ρ<1-1 < \rho < 1−1<ρ<1, and errors ϵt\epsilon_tϵt​ that are independent N(0,σ2)N(0, \sigma^2)N(0,σ2) variables, each independent of the demands before period ttt. In steady state every DtD_tDt​ has the law N(d/(1−ρ), σ2/(1−ρ2))N\big(d/(1-\rho),\ \sigma^2/(1-\rho^2)\big)N(d/(1−ρ), σ2/(1−ρ2)). The retailer replenishes with a lead time of LLL periods under a base-stock policy but does not know the demand parameters, so it estimates the lead-time demand from a moving average of the previous m≥1m \ge 1m≥1 demands:

μ^tL=Lm∑i=1mDt−i,σ^etL=C1m∑i=1met−i2,et=Dt−μ^t1,\hat\mu^L_t = \frac{L}{m}\sum_{i=1}^m D_{t-i}, \qquad \hat\sigma^L_{et} = C\sqrt{\frac{1}{m}\sum_{i=1}^m e_{t-i}^2}, \qquad e_t = D_t - \hat\mu^1_t,μ^​tL​=mL​i=1∑m​Dt−i​,σ^etL​=Cm1​i=1∑m​et−i2​​,et​=Dt​−μ^​t1​,

and sets the base-stock level St=μ^tL+zασ^etLS_t = \hat\mu^L_t + z_\alpha \hat\sigma^L_{et}St​=μ^​tL​+zα​σ^etL​, where zαz_\alphazα​ is a safety factor. The book writes the constant in σ^etL\hat\sigma^L_{et}σ^etL​ as CLρC_{L\rho}CLρ​ and does not give its form; here it is a free parameter CCC. Each period the retailer orders Qt=St−St−1+Dt−1Q_t = S_t - S_{t-1} + D_{t-1}Qt​=St​−St−1​+Dt−1​, which may be negative. In Lean the process is the structure AR1Demand, whose fields are the parameters, the errors, the demands, the recursion, the independence properties and the stationary law; muHat, err, sigmaHat, baseStock and order are the five quantities above.

Order batching. NNN retailers face independent N(μ,σ2)N(\mu, \sigma^2)N(μ,σ2) demands in every period and each orders once every R≥1R \ge 1R≥1 periods, the order being its demand over the previous RRR periods. The supplier's order in a given period is the total ordered by the retailers whose ordering day falls in that period. Three patterns are compared: random ordering, in which each retailer's day is uniform over the RRR days, so the number XXX of retailers ordering on a given day is binomial(N,1/R)(N, 1/R)(N,1/R); positively correlated ordering, in which all retailers order on the same day, so X=NX = NX=N with probability 1/R1/R1/R and 000 otherwise; and balanced ordering, in which the retailers are spread as evenly as possible, so with N=MR+kN = MR + kN=MR+k, 0≤k<R0 \le k < R0≤k<R, XXX is M+1M+1M+1 with probability k/Rk/Rk/R and MMM otherwise. The structure BatchOrders P N R mu sigma carries the demands, the ordering count XXX independent of them, and supplierOrder, the sum of the last RRR demands of retailers 1,…,X1, \dots, X1,…,X; each pattern enters a theorem as a hypothesis on the law of XXX.

Rationing game. Two identical retailers face single-period demand with distribution function FFF, holding cost hhh and stockout penalty ppp, so the newsvendor quantity Q∗Q^*Q∗ satisfies F(Q∗)=p/(h+p)F(Q^*) = p/(h+p)F(Q∗)=p/(h+p). With probability rrr the supplier can deliver only A1<2Q∗A_1 < 2Q^*A1​<2Q∗ units in total and allocates them pro rata to the orders, retailer 1 receiving A1Q1/(Q1+Q2)A_1 Q_1/(Q_1 + Q_2)A1​Q1​/(Q1​+Q2​); with probability 1−r1 - r1−r supply is unlimited. Retailer 1's expected cost when the retailers order Q1Q_1Q1​ and Q2Q_2Q2​ is

g1(Q1)=(1−r) nv(Q1)+r nv ⁣(A1Q1Q1+Q2),g_1(Q_1) = (1-r)\,\mathrm{nv}(Q_1) + r\,\mathrm{nv}\!\Big(\frac{A_1 Q_1}{Q_1 + Q_2}\Big),g1​(Q1​)=(1−r)nv(Q1​)+rnv(Q1​+Q2​A1​Q1​​),

with nv\mathrm{nv}nv the newsvendor cost; this is rationingCost.

Formalization targets

Goal: Theorem 13.2, demand signal processing

Var[Qt]Var[Dt]  ≥  1+(2Lm+2L2m2)(1−ρm),\frac{\mathrm{Var}[Q_t]}{\mathrm{Var}[D_t]} \;\ge\; 1 + \Big(\frac{2L}{m} + \frac{2L^2}{m^2}\Big)(1 - \rho^m),Var[Dt​]Var[Qt​]​≥1+(m2L​+m22L2​)(1−ρm),

with equality when zα=0z_\alpha = 0zα​=0. This is bullwhip_signal_processing. The bound exceeds 111 whenever L>0L > 0L>0, whatever the value of ρ\rhoρ: a lead time and a moving-average forecast are enough to produce the effect.

Supporting targets

The chapter's own route to the goal, each a milestone: the steady-state moments (13.2) to (13.4), E[Dt]=d/(1−ρ)\mathbb{E}[D_t] = d/(1-\rho)E[Dt​]=d/(1−ρ), Var[Dt]=σ2/(1−ρ2)\mathrm{Var}[D_t] = \sigma^2/(1-\rho^2)Var[Dt​]=σ2/(1−ρ2) and Cov[Dt,Dt−k]=ρkVar[Dt]\mathrm{Cov}[D_t, D_{t-k}] = \rho^k \mathrm{Var}[D_t]Cov[Dt​,Dt−k​]=ρkVar[Dt​]; the identity Qt=(1+L/m)Dt−1−(L/m)Dt−m−1+zα(σ^etL−σ^e,t−1L)Q_t = (1 + L/m) D_{t-1} - (L/m) D_{t-m-1} + z_\alpha(\hat\sigma^L_{et} - \hat\sigma^L_{e,t-1})Qt​=(1+L/m)Dt−1​−(L/m)Dt−m−1​+zα​(σ^etL​−σ^e,t−1L​); Lemma 13.1, Cov[Dt−i,σ^etL]=0\mathrm{Cov}[D_{t-i}, \hat\sigma^L_{et}] = 0Cov[Dt−i​,σ^etL​]=0 for 1≤i≤m1 \le i \le m1≤i≤m; the vanishing of the cross term (13.12); and the variance of the demand part, (1+(2L/m+2L2/m2)(1−ρm))Var[Dt]\big(1 + (2L/m + 2L^2/m^2)(1 - \rho^m)\big)\mathrm{Var}[D_t](1+(2L/m+2L2/m2)(1−ρm))Var[Dt​].

Order batching, Theorem 13.4: under the three patterns the supplier's order has mean NμN\muNμ and

Var[Qtc]≥Var[Qtr]≥Var[Qtb]≥Nσ2,\mathrm{Var}[Q^c_t] \ge \mathrm{Var}[Q^r_t] \ge \mathrm{Var}[Q^b_t] \ge N\sigma^2,Var[Qtc​]≥Var[Qtr​]≥Var[Qtb​]≥Nσ2,

through the three variance formulas Nσ2+μ2N(R−1)N\sigma^2 + \mu^2 N(R-1)Nσ2+μ2N(R−1), Nσ2+μ2N2(R−1)N\sigma^2 + \mu^2 N^2 (R-1)Nσ2+μ2N2(R−1) and Nσ2+μ2k(R−k)N\sigma^2 + \mu^2 k(R-k)Nσ2+μ2k(R−k).

The rationing game, Theorem 13.3: if Q>0Q > 0Q>0 is a symmetric Nash equilibrium, that is, QQQ minimizes g1g_1g1​ over positive order quantities when the other retailer orders QQQ, then Q>Q∗Q > Q^*Q>Q∗.

Significance

The three theorems are the quantitative core of the chapter. Theorem 13.2 is the single-stage building block that Theorems 13.6 and 13.7 later iterate along a serial chain, giving the product-form and the exponential lower bounds on the amplification at stage kkk; its comparative statics, the bound decreasing in mmm and increasing in LLL, are the basis of the remedies the chapter recommends (shorter lead times, smoother forecasts, sharing point-of-sale data). Theorem 13.4 ranks the ordering patterns and justifies the advice to balance ordering days when batching cannot be avoided. Theorem 13.3 shows that pro-rata rationing alone inflates orders; the book is careful to note that inflated orders are not by themselves inflated variances, and that the variance statement for this model is due to Rong, Shen and Snyder (2017).

None of these results has a machine-checked proof. The book's proofs of Theorems 13.2 and 13.4 are complete but informal, and the proof of Lemma 13.1 is omitted with a citation to Ryan's 1997 thesis; formalizing it requires a self-contained argument. The variance decomposition of QtQ_tQt​ and the conditioning argument for Theorem 13.4 are reusable for the multistage results of Sect. 13.2.5, which are natural follow-up missions on the same definitions.

Difficulty

The obvious computation of Var[Qt]\mathrm{Var}[Q_t]Var[Qt​] expands the order into its demand part and its safety-stock part and hopes the cross term disappears. It does, but not for a reason visible in the formulas: σ^etL\hat\sigma^L_{et}σ^etL​ is a square root of a sum of squares of forecast errors, a nonlinear function of m+mm + mm+m demands, and its covariance with a single demand is zero only because the errors are jointly Gaussian with mean zero and σ^\hat\sigmaσ^ is an even function of them, so the covariance is the expectation of an odd function of a centred Gaussian vector. That is Lemma 13.1, and the vanishing of the cross term needs two further covariances, Cov[Dt−1,σ^e,t−1L]\mathrm{Cov}[D_{t-1}, \hat\sigma^L_{e,t-1}]Cov[Dt−1​,σ^e,t−1L​] and Cov[Dt−m−1,σ^etL]\mathrm{Cov}[D_{t-m-1}, \hat\sigma^L_{et}]Cov[Dt−m−1​,σ^etL​], which the book reduces to the lemma through the recursion (the second reduction divides by ρ\rhoρ) but which hold for every ρ\rhoρ by the same symmetry. A solver must set up the joint Gaussian structure of the demand vector and prove the odd-function argument; nothing in Mathlib does this directly.

The second obstacle is that the moments (13.2) to (13.4) are not assumed but derived: the structure carries the stationary law of each DtD_tDt​ and the independence of ϵt\epsilon_tϵt​ from the past, and the autocovariance ρkVar[Dt]\rho^k \mathrm{Var}[D_t]ρkVar[Dt​] has to be obtained from the recursion by induction on the lag, with integrability supplied by the Gaussian laws.

For Theorem 13.4 the work is the conditioning on XXX: given X=xX = xX=x the supplier's order is a sum of xRxRxR independent normals, so its conditional mean is xRμxR\muxRμ and conditional variance xRσ2xR\sigma^2xRσ2, and the total variance is E[Var[Q∣X]]+Var[E[Q∣X]]\mathbb{E}[\mathrm{Var}[Q \mid X]] + \mathrm{Var}[\mathbb{E}[Q \mid X]]E[Var[Q∣X]]+Var[E[Q∣X]]. The order is defined by a sum over retailers i<Xi < Xi<X, so the independence of XXX from the demands has to be used through the indicator structure rather than through a conditional-expectation library result.

For Theorem 13.3 the argument is a first-order condition. It requires that the newsvendor cost be differentiable with derivative (h+p)F(y)−p(h+p)F(y) - p(h+p)F(y)−p, which holds when FFF is continuous, and that the symmetric equilibrium be an interior minimizer, which is why Q>0Q > 0Q>0 and the minimization over Q1>0Q_1 > 0Q1​>0 are hypotheses.

Formalization scope

Time is indexed by Z\mathbb{Z}Z so that Dt−m−1D_{t-m-1}Dt−m−1​ exists for every ttt. AR1Demand asserts the recursion for every outcome, the independence of the whole error family, the independence of ϵt\epsilon_tϵt​ from (Ds)s<t(D_s)_{s < t}(Ds​)s<t​, and the stationary law of every DtD_tDt​; these are the "steady-state" assumptions the book makes in words. The structure is satisfiable: the stationary Gaussian AR(1) process on a full-measure set of error sequences has all these properties. The constant CLρC_{L\rho}CLρ​ is a free real parameter CCC; no theorem depends on its value.

The goal divides by Var[Dt]\mathrm{Var}[D_t]Var[Dt​], which is σ2/(1−ρ2)>0\sigma^2/(1-\rho^2) > 0σ2/(1−ρ2)>0 under the structure's hypotheses σ>0\sigma > 0σ>0 and ∣ρ∣<1|\rho| < 1∣ρ∣<1, so the ratio is a genuine quotient. Mathlib's ProbabilityTheory.variance and covariance are used; both are the ordinary real quantities for square-integrable variables, which every variable here is, σ^etL\hat\sigma^L_{et}σ^etL​ included.

In BatchOrders the demands are indexed by Fin N × Fin R, the count XXX is a natural-valued random variable bounded by NNN and independent of the demand family, and supplierOrder sums the RRR demands of retailers 1,…,X1, \dots, X1,…,X, the book's "without loss of generality" choice. The laws of XXX are hypotheses on point probabilities P.real {ω | X ω = j}; with R≥1R \ge 1R≥1 each of the three families of hypotheses is satisfiable by a structure with the corresponding law. The subtractions R−1R - 1R−1 and R−kR - kR−k are real.

In the rationing game the demand law is a probability measure on R\mathbb{R}R whose distribution function is continuous and strictly increasing on [0,∞)[0, \infty)[0,∞); the newsvendor loss is assumed integrable at every order quantity. The pro-rata allocation uses Lean's total division, which is never at 000 in the theorem since Q1+Q2>0Q_1 + Q_2 > 0Q1​+Q2​>0.

Beyond the ten milestones, the multistage Theorems 13.6 and 13.7 and the centralized-information bound of Theorem 13.5 are welcome as extensions on the same AR1Demand.

Selected references

  • L. V. Snyder and Z.-J. M. Shen, Fundamentals of Supply Chain Theory, 2nd ed., Wiley, 2019, Chapter 13. https://doi.org/10.1002/9781119584445
  • H. L. Lee, V. Padmanabhan and S. Whang, Information distortion in a supply chain: the bullwhip effect, Management Science 43(4), 1997. https://doi.org/10.1287/mnsc.43.4.546
  • F. Chen, Z. Drezner, J. K. Ryan and D. Simchi-Levi, Quantifying the bullwhip effect in a simple supply chain: the impact of forecasting, lead times, and information, Management Science 46(3), 2000. https://doi.org/10.1287/mnsc.46.3.436.12069
  • G. P. Cachon, Managing supply chain demand variability with scheduled ordering policies, Management Science 45(6), 1999. https://doi.org/10.1287/mnsc.45.6.843
  • Y. Rong, Z.-J. M. Shen and L. V. Snyder, The impact of ordering behavior on order-quantity variability: a study of forward and reverse bullwhip effects, Naval Research Logistics 64(1), 2017. https://doi.org/10.1002/nav.21757
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Dynamic ProgrammingOperations Research·Captain: naimengye

Markov Decision Processes III: The Average Reward Optimality Equation for Unichain ModelsTextbook

Motivation

When a system is controlled indefinitely and decisions are frequent — a router admitting packets, a queue accepting jobs, a machine being maintained — discounting future rewards is often unjustified, and what matters is the long-run average reward per period. Puterman's Chapter 8 (doi:10.1002/9780470316887) develops the theory of this criterion, and its central object is a single equation, the average reward optimality equation 0=max⁡a∈As{r(s,a)−g+∑jp(j∣s,a)h(j)−h(s)}0=\max_{a\in A_s}\{r(s,a)-g+\sum_jp(j\mid s,a)h(j)-h(s)\}0=maxa∈As​​{r(s,a)−g+∑j​p(j∣s,a)h(j)−h(s)}, whose unknowns are a scalar gain ggg and a bias function hhh. For unichain models, in which every stationary policy generates a Markov chain with one recurrent class, this equation determines the optimal gain and an optimal stationary policy. The results go back to Howard (Dynamic Programming and Markov Processes, MIT Press, 1960) for the recurrent case and to Blackwell (Discrete dynamic programming, Annals of Mathematical Statistics 33, 1962, doi:10.1214/aoms/1177704593) and Derman for the general finite case; Puterman's Section 8.4 proves them through the discounted theory of mission II, by letting the discount factor tend to one.

Setting

The model is stationary (Assumption 8.0.1): a finite set SSS of states, for each sss a finite nonempty set AsA_sAs​ of actions, a reward r(s,a)r(s,a)r(s,a) and transition probabilities p(j∣s,a)p(j\mid s,a)p(j∣s,a), none depending on the decision epoch. A policy π∈ΠHR\pi\in\Pi^{HR}π∈ΠHR may randomize and may depend on the whole history; the deterministic stationary policy d∞d^\inftyd∞ applies the decision rule d:S→Ad:S\to Ad:S→A at every epoch. Its transition matrix is Pd(i,j)=p(j∣i,d(i))P_d(i,j)=p(j\mid i,d(i))Pd​(i,j)=p(j∣i,d(i)).

For a policy π\piπ, vN+1π(s)=Esπ[∑t=1Nr(Xt,Yt)]v^\pi_{N+1}(s)=\mathbb E^\pi_s[\sum_{t=1}^Nr(X_t,Y_t)]vN+1π​(s)=Esπ​[∑t=1N​r(Xt​,Yt​)] is the expected reward over NNN epochs. Since the limit of N−1vN+1π(s)N^{-1}v^\pi_{N+1}(s)N−1vN+1π​(s) need not exist (Example 8.1.1), the chapter works with the lim sup and lim inf average rewards g+π(s)g^\pi_+(s)g+π​(s) and g−π(s)g^\pi_-(s)g−π​(s), and with g±∗(s)=sup⁡πg±π(s)g^*_\pm(s)=\sup_{\pi}g^\pi_\pm(s)g±∗​(s)=supπ​g±π​(s). A policy π∗\pi^*π∗ is average optimal when g−π∗(s)≥g+π(s)g^{\pi^*}_-(s)\ge g^\pi_+(s)g−π∗​(s)≥g+π​(s) for all sss and π\piπ, the strongest of the three criteria of Section 8.1.2.

The optimality residual is B(g,h)(s)=max⁡a∈As{r(s,a)−g+∑jp(j∣s,a)h(j)−h(s)}B(g,h)(s)=\max_{a\in A_s}\{r(s,a)-g+\sum_jp(j\mid s,a)h(j)-h(s)\}B(g,h)(s)=maxa∈As​​{r(s,a)−g+∑j​p(j∣s,a)h(j)−h(s)}, and the optimality equation is B(g,h)=0B(g,h)=0B(g,h)=0. A decision rule is hhh-improving when it attains max⁡a∈As{r(s,a)+∑jp(j∣s,a)h(j)}\max_{a\in A_s}\{r(s,a)+\sum_jp(j\mid s,a)h(j)\}maxa∈As​​{r(s,a)+∑j​p(j∣s,a)h(j)} at every state. A transition matrix is unichain when it consists of a single recurrent class plus a possibly empty set of transient states, and the MDP is unichain when PdP_dPd​ is unichain for every deterministic decision rule.

Formalization targets

Goal — Theorem 8.4.5 (printed p. 361)

For a finite unichain model: (a) some deterministic stationary policy is average optimal; (b) the optimality equation B(g∗,h∗)=0B(g^*,h^*)=0B(g∗,h∗)=0 has a solution, and (d) its scalar satisfies g+∗(s)=g−∗(s)=g∗g^*_+(s)=g^*_-(s)=g^*g+∗​(s)=g−∗​(s)=g∗ for every sss; (c) for every solution, every h∗h^*h∗-improving decision rule gives an average optimal stationary policy.

Theorem 8.4.1 (printed p. 356)

If B(g,h)≤0B(g,h)\le 0B(g,h)≤0 then g≥g+∗g\ge g^*_+g≥g+∗​; if B(g,h)≥0B(g,h)\ge 0B(g,h)≥0 then g≤sup⁡dg−d∞≤g−∗g\le\sup_{d}g^{d^\infty}_-\le g^*_-g≤supd​g−d∞​≤g−∗​; if B(g,h)=0B(g,h)=0B(g,h)=0 then g+∗=g−∗=gg^*_+=g^*_-=gg+∗​=g−∗​=g.

Theorem 8.4.3 (printed p. 358)

In a finite unichain model B(g,h)=0B(g,h)=0B(g,h)=0 has a solution, and every solution has the same ggg.

Theorem 8.4.4 (printed p. 361)

If B(g∗,h∗)=0B(g^*,h^*)=0B(g∗,h∗)=0 and d∗d^*d∗ is h∗h^*h∗-improving, then (d∗)∞(d^*)^\infty(d∗)∞ is average optimal.

Significance

Theorem 8.4.1(c) is what the source calls "one of the most important results for average reward models": a solution of the optimality equation with constant ggg pins down the optimal gain under every criterion at once, so that in finite unichain models the three optimality criteria of Section 8.1.2 coincide. Theorem 8.4.3 guarantees such a solution exists, and Theorem 8.4.4 reads an optimal policy off it. Together, Theorem 8.4.5 reduces the infinite-horizon average reward problem over all history-dependent randomized policies to a finite system of equations in (g,h)(g,h)(g,h), which is what policy iteration, value iteration and linear programming solve in Sections 8.5 to 8.8.

The results are classical and proved. Formalizing them fixes the chain-structure hypothesis in a checkable form and pins down which criterion "average optimal" means, two places where the literature is loose. The platform's MarkovDecisionProcesses series has the finite-horizon (mission I) and discounted (mission II) models; this mission adds the undiscounted stationary model, the gains, and the unichain classification, on which Chapter 9's multichain optimality equations and Chapter 10's sensitive discount optimality can be built.

Difficulty

The obvious argument for Theorem 8.4.3 is to take the discounted optimal value vλ∗v^*_\lambdavλ∗​ of mission II and let λ↑1\lambda\uparrow 1λ↑1. It fails as stated because vλ∗v^*_\lambdavλ∗​ blows up like (1−λ)−1(1-\lambda)^{-1}(1−λ)−1; what converges is the Laurent expansion vλd∞=(1−λ)−1ge+h+o(1)v^{d^\infty}_\lambda=(1-\lambda)^{-1}ge+h+o(1)vλd∞​=(1−λ)−1ge+h+o(1) of the value of a fixed stationary policy, Corollary 8.2.4, and that expansion needs the limiting matrix Pd∗P_d^*Pd∗​ and the deviation matrix HPdH_{P_d}HPd​​ of a unichain chain. So the proof must first develop the Markov chain theory of Section 8.2 and Appendix A, choose a subsequence of discount factors along which one policy is discount optimal (possible because DMDD^{MD}DMD is finite), and only then pass to the limit in the discounted optimality equation.

Theorem 8.4.1 looks elementary and hides the analytic step: iterating ge≥rd+(Pd−I)hge\ge r_d+(P_d-I)hge≥rd​+(Pd​−I)h along an arbitrary history-dependent policy and dividing by NNN requires the telescoping term N−1(PNπ−I)hN^{-1}(P^\pi_N-I)hN−1(PNπ​−I)h to vanish, which uses boundedness of hhh, and requires the reduction from history-dependent randomized to Markov randomized policies (Theorem 8.1.2). For Theorem 8.4.4 the step is Corollary 8.2.7, that rd−ge+(Pd−I)h=0r_d-ge+(P_d-I)h=0rd​−ge+(Pd​−I)h=0 forces the gain of d∞d^\inftyd∞ to be ggg, which is the multiplication by Pd∗P_d^*Pd∗​ that annihilates (Pd−I)(P_d-I)(Pd​−I).

The traps are in the definitions. Recurrence and the unichain property must be stated so that the source's Example 8.4.3 comes out as the book says — the policy using a1,1a_{1,1}a1,1​ has the absorbing state s2s_2s2​ as its single recurrent class — and the optimality residual must use the lim sup / lim inf gains, since a definition through a limit that need not exist would be a junk value on the policies of Example 8.1.1.

Formalization scope

State and action spaces are Fintypes and admissible actions are nonempty Finsets, as in missions I and II; the stationary model is a new structure because mission II's DiscountedMDP bundles a discount factor, and carries the same data otherwise. Policies are history-dependent and randomized, so "average optimal" has its full strength; a stationary policy is the deterministic one built from a decision rule. Expected total reward is defined by the policy evaluation recursion, as in the earlier missions, rather than through a measure on trajectories.

Gains are Filter.limsup and Filter.liminf of N−1vN+1π(s)N^{-1}v^\pi_{N+1}(s)N−1vN+1π​(s) on R\mathbb RR; these are the source's because the sequence is bounded by max⁡∣r∣\max|r|max∣r∣, and the suprema g±∗g^*_\pmg±∗​ over the nonempty family of policies are genuine real suprema for the same reason. The residual B(g,h)B(g,h)B(g,h) is a Finset.sup' over the admissible actions. Recurrence is "every state reachable from iii reaches iii" and unichain is "any two recurrent states communicate", the definitions of Appendix A for finite chains, applied to PdP_dPd​ for every admissible deterministic decision rule.

Restrictions relative to the printed text, all noted in the items: Theorem 8.4.1 is stated for finite SSS where the source says countable, since the chapter's standing assumption and the model are finite; the gain gd∞g^{d^\infty}gd∞ of a stationary policy in (8.4.5) is written as its lim inf gain, which equals it; and the chain ge=g∗=g+∗=g−∗ge=g^*=g^*_+=g^*_-ge=g∗=g+∗​=g−∗​ of (8.4.6) is stated through g+∗g^*_+g+∗​ and g−∗g^*_-g−∗​, since g∗g^*g∗ presupposes existing limits. Nothing is trivialized: the existential in Theorem 8.4.5(a) has to produce a decision rule, and B(g,h)=0B(g,h)=0B(g,h)=0 with a junk maximum is impossible since every AsA_sAs​ is nonempty. Welcome contributions beyond the milestones: Theorem 8.1.2 (reduction to Markov policies), Corollary 8.2.7 (the gain of a stationary policy from the evaluation equations), and the equivalence of the three optimality criteria in finite models.

Selected references

  • Martin L. Puterman, Markov Decision Processes: Discrete Stochastic Dynamic Programming, Wiley, 1994, Chapter 8. doi:10.1002/9780470316887
  • Ronald A. Howard, Dynamic Programming and Markov Processes, MIT Press, 1960.
  • David Blackwell, Discrete dynamic programming, Annals of Mathematical Statistics 33 (1962). doi:10.1214/aoms/1177704593
  • Cyrus Derman, Finite State Markovian Decision Processes, Academic Press, 1970.
  • Paul J. Schweitzer and Awi Federgruen, The functional equations of undiscounted Markov renewal programming, Mathematics of Operations Research 3 (1978). doi:10.1287/moor.3.4.308
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Mathematical Physics·Captain: Lucas

Feynman Diagrams I: Wick's Theorem for Gaussian MomentsTextbook

Motivation

Perturbative quantum field theory computes correlation functions of a field by expanding around a Gaussian (free) theory. Every term of that expansion is a Feynman diagram, and the rule that turns a diagram into a number is Wick's theorem: the expectation of a product of Gaussian field modes is the sum, over all ways of pairing the modes up, of the product of the two-point functions of the pairs. The same identity is known in probability and statistics as the Isserlis theorem (L. Isserlis, 1918) and is the standard tool for computing moments of Gaussian vectors; in random-matrix theory the counting of pairings it produces is the origin of the Catalan-number asymptotics of Wigner's semicircle law.

The uploaded source is the Wikipedia article Feynman diagram, which states Wick's theorem for the free scalar field and then, in the section Higher Gaussian moments — completing Wick's theorem, verifies the one-variable case by direct Gaussian integration. This mission formalizes that content: the combinatorics of pairings, the one-dimensional Gaussian moment formulas, and the multivariate identity itself.

Setting

Fix d,n∈Nd, n \in \mathbb{N}d,n∈N and work on Rd\mathbb{R}^dRd with coordinates x1,…,xdx_1,\dots,x_dx1​,…,xd​. Let μ\muμ be a centered Gaussian measure on Rd\mathbb{R}^dRd: a Gaussian probability measure all of whose coordinate means vanish, ∫xi dμ(x)=0\int x_i \, d\mu(x) = 0∫xi​dμ(x)=0 for every iii. Its covariance (in the physics reading, the propagator) is

Gij  =  ∫xixj dμ(x).G_{ij} \;=\; \int x_i x_j \, d\mu(x).Gij​=∫xi​xj​dμ(x).

A pairing of the labels {0,1,…,2n−1}\{0,1,\dots,2n-1\}{0,1,…,2n−1} is a partition of these 2n2n2n labels into nnn unordered pairs; equivalently, a permutation σ\sigmaσ of the labels with σ∘σ=id\sigma\circ\sigma = \mathrm{id}σ∘σ=id and σ(i)≠i\sigma(i)\neq iσ(i)=i for all iii (a fixed-point-free involution). The set of pairings is written PnP_nPn​. For a weight WabW_{ab}Wab​ indexed by labels, the Wick sum is

Wick(W)  =  ∑σ∈Pn ∏i:i<σ(i)Wi σ(i),\mathrm{Wick}(W) \;=\; \sum_{\sigma \in P_n} \ \prod_{\substack{i \,:\, i < \sigma(i)}} W_{i\,\sigma(i)},Wick(W)=σ∈Pn​∑​ i:i<σ(i)​∏​Wiσ(i)​,

the inner product ranging over the nnn pairs of σ\sigmaσ, each counted once through its smaller element.

In the article's field-theory notation the labels are momenta k1,…,k2nk_1,\dots,k_{2n}k1​,…,k2n​, the coordinates are the field modes ϕ(kj)\phi(k_j)ϕ(kj​), and the two-point function carries the momentum-conserving delta function, ⟨ϕ(k)ϕ(k′)⟩=δ(k−k′)/k2\langle \phi(k)\phi(k')\rangle = \delta(k-k')/k^2⟨ϕ(k)ϕ(k′)⟩=δ(k−k′)/k2. This mission works with the finite-dimensional Gaussian vector rather than the field, so the delta functions are absorbed into the covariance matrix GGG.

Formalization targets

Goal — Wick's theorem (Isserlis' theorem)

For a centered Gaussian measure μ\muμ on Rd\mathbb{R}^dRd and any labels k1,…,k2n∈{1,…,d}k_1,\dots,k_{2n} \in \{1,\dots,d\}k1​,…,k2n​∈{1,…,d},

∫∏j=12nxkj dμ(x)  =  ∑σ∈Pn ∏i<σ(i)(∫xkixkσ(i) dμ(x)).\int \prod_{j=1}^{2n} x_{k_j} \, d\mu(x) \;=\; \sum_{\sigma\in P_n} \ \prod_{i < \sigma(i)} \left( \int x_{k_i} x_{k_{\sigma(i)}} \, d\mu(x) \right).∫j=1∏2n​xkj​​dμ(x)=σ∈Pn​∑​ i<σ(i)∏​(∫xki​​xkσ(i)​​dμ(x)).

No hypothesis is imposed on the covariance: it may be singular and the labels kjk_jkj​ may repeat, which is exactly the situation the article's "completing Wick's theorem" section addresses.

Supporting targets (milestones)

  1. ∫Re−ax2/2 dx=2π/a\int_{\mathbb{R}} e^{-a x^{2}/2}\,dx = \sqrt{2\pi/a}∫R​e−ax2/2dx=2π/a​ for a>0a>0a>0.
  2. ∫Rx2ne−ax2/2 dx=(2n−1)!!an2π/a\int_{\mathbb{R}} x^{2n} e^{-a x^{2}/2}\,dx = \dfrac{(2n-1)!!}{a^{n}}\sqrt{2\pi/a}∫R​x2ne−ax2/2dx=an(2n−1)!!​2π/a​ for a>0a>0a>0.
  3. ∫x2n dN(0,v)=(2n−1)!! vn\int x^{2n}\,d\mathcal{N}(0,v) = (2n-1)!!\, v^{n}∫x2ndN(0,v)=(2n−1)!!vn for a real Gaussian law of variance v≥0v \ge 0v≥0.
  4. #Pn=(2n−1)!!\#P_n = (2n-1)!!#Pn​=(2n−1)!!.
  5. Correlation functions of odd order vanish: ∫∏j=12n+1xkj dμ=0\int \prod_{j=1}^{2n+1} x_{k_j}\,d\mu = 0∫∏j=12n+1​xkj​​dμ=0.
  6. The four-point function: ⟨xk1xk2xk3xk4⟩\langle x_{k_1}x_{k_2}x_{k_3}x_{k_4}\rangle⟨xk1​​xk2​​xk3​​xk4​​⟩ equals the sum of the three products Gk1k2Gk3k4+Gk1k3Gk2k4+Gk1k4Gk2k3G_{k_1k_2}G_{k_3k_4} + G_{k_1k_3}G_{k_2k_4} + G_{k_1k_4}G_{k_2k_3}Gk1​k2​​Gk3​k4​​+Gk1​k3​​Gk2​k4​​+Gk1​k4​​Gk2​k3​​.

Targets 1–3 are the article's displayed Gaussian integrals, target 4 is its pairing count, targets 5–6 are the two explicit consequences it records for the field correlators.

Significance

Wick's theorem is the computational content of every Feynman-diagram expansion: once it is available, a perturbative term is a finite sum over diagrams, and the symmetry factors of diagrams are bookkeeping on the pairing set PnP_nPn​. On the probabilistic side it gives all moments of a Gaussian vector in closed form, which is the entry point to Gaussian chaos expansions, Wiener–Itô integrals, and moment methods for random matrices.

Mathlib (revision 0df444a) has real Gaussian measures gaussianReal, the general class IsGaussian of Gaussian measures on a topological vector space, the Gaussian integral ∫e−bx2=π/b\int e^{-bx^2} = \sqrt{\pi/b}∫e−bx2=π/b​, and the double factorial Nat.doubleFactorial, but no higher-moment formula for Gaussian measures and no Isserlis/Wick statement. The mission therefore produces new library-level content, not a re-derivation of existing formal results; the result itself has been classical since 1918 (Isserlis) and 1950 (Wick).

Difficulty

The obvious route — expand the characteristic function exp⁡(−12tTGt)\exp(-\tfrac12 t^{\mathsf T} G t)exp(−21​tTGt) and differentiate 2n2n2n times at t=0t=0t=0 — requires differentiating under an integral sign 2n2n2n times and identifying the resulting combinatorial sum with a sum over pairings; both steps are where the formal work lies. Integrability is not automatic from the statement and has to be established (Gaussian measures have moments of all orders, but the product ∏jxkj\prod_j x_{k_j}∏j​xkj​​ must be shown integrable before any manipulation). The naive attempt to reduce to the independent case by diagonalizing GGG meets a second difficulty: the change of variables must be tracked through the pairing sum, and GGG may be singular, so no invertible whitening transform exists in general. The one-variable case (milestone 3) is not a special case to be waved through either: it is the statement the article singles out, because a naive "each mode pairs with a distinct partner" argument fails when all labels coincide.

Formalization scope

The ambient space is EuclideanSpace ℝ (Fin d); measures are Mathlib Measures and Gaussianity is the Mathlib class IsGaussian, which is defined by every continuous linear functional pushing forward to a real Gaussian law. Centering is stated as an explicit hypothesis on the coordinate means, so the measure is not assumed standard and the covariance is unconstrained (in particular degenerate covariances, and repeated labels ki=kjk_i = k_jki​=kj​, are included). Integrals are Bochner integrals, which return 000 for non-integrable functions; the statements are nonetheless non-vacuous because Gaussian measures integrate all polynomials.

Pairings are formalized as fixed-point-free involutions of Fin (2 * n) and the pair product ranges over {i:i<σ(i)}\{i : i < \sigma(i)\}{i:i<σ(i)}, so each pair contributes once. The case n=0n = 0n=0 is included: the empty product is 111, the unique pairing of the empty label set is the identity, and both sides of the goal equal 111. The double factorial is Mathlib's Nat.doubleFactorial, evaluated at 2 * n - 1 in truncated natural subtraction, so the n=0n = 0n=0 value is 0!!=10!! = 10!!=1.

Contributions welcome: the Gaussian moment lemmas (milestones 1–3) as standalone Mathlib-style results, the pairing count (milestone 4) as pure combinatorics independent of the analysis, and any reduction of the goal to the independent-coordinate case.

Selected references

  • L. Isserlis, On a formula for the product-moment coefficient of any order of a normal frequency distribution in any number of variables, Biometrika 12 (1918), 134–139. DOI: 10.1093/biomet/12.1-2.134
  • G. C. Wick, The evaluation of the collision matrix, Physical Review 80 (1950), 268–272. DOI: 10.1103/PhysRev.80.268
  • Feynman diagram, Wikipedia. https://en.wikipedia.org/wiki/Feynman_diagram
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Wasserstein Distributionally Robust Optimization I: Kantorovich Duality and Strong Duality for the Worst-Case RiskTextbook

Motivation

Every data-driven decision problem faces the same trap. A decision-maker estimates a risk functional R(P,ℓ)=EP[ℓ(ξ)]R(P,\ell) = \mathbb{E}_P[\ell(\xi)]R(P,ℓ)=EP​[ℓ(ξ)] from a nominal distribution P^N\hat P_NP^N​ built from NNN training samples, then optimizes a loss function ℓ\ellℓ against P^N\hat P_NP^N​ instead of the unknown true distribution PPP. Because the optimizer adapts to the noise in P^N\hat P_NP^N​, the in-sample risk of the optimizer systematically understates its true, out-of-sample risk — a phenomenon Smith and Winkler named the optimizer's curse (Smith & Winkler, Management Science, 2006). The remedy explored here is to hedge against a whole neighborhood of plausible distributions around P^N\hat P_NP^N​, rather than trusting the point estimate. Kuhn, Mohajerin Esfahani, Nguyen and Shafieezadeh-Abadeh's INFORMS TutORials chapter (2019) develops this neighborhood using the Wasserstein distance, and the present mission formalizes its foundational duality theory: the machinery every later result in the chapter (finite-sample guarantees, elliptical tractability, regularization) builds on.

Setting

Fix a norm ∥⋅∥\|\cdot\|∥⋅∥ on a finite-dimensional real vector space EEE (representing Rm\mathbb{R}^mRm). For p∈[1,∞)p \in [1,\infty)p∈[1,∞), the type-ppp Wasserstein distance between two Borel probability measures Q,Q′Q, Q'Q,Q′ on EEE is

Wp(Q,Q′)=(inf⁡π∈Π(Q,Q′)∫E×E∥ξ−ξ′∥p π(dξ,dξ′))1/p,W_p(Q,Q') = \left(\inf_{\pi \in \Pi(Q,Q')} \int_{E\times E} \|\xi-\xi'\|^p\, \pi(d\xi,d\xi')\right)^{1/p},Wp​(Q,Q′)=(π∈Π(Q,Q′)inf​∫E×E​∥ξ−ξ′∥pπ(dξ,dξ′))1/p,

where Π(Q,Q′)\Pi(Q,Q')Π(Q,Q′) is the set of couplings of QQQ and Q′Q'Q′ — joint probability measures on E×EE \times EE×E whose marginals are QQQ and Q′Q'Q′. The optimal π\piπ can be read as a transportation plan moving one pile of dirt (QQQ) into another (Q′Q'Q′) at minimum cost, which is why WpW_pWp​ is also called the earth mover's distance; the underlying linear program was formalized by Kantorovich (1942) after Monge's 1781 original.

Given NNN training samples ξ^1,…,ξ^N\hat\xi_1,\dots,\hat\xi_Nξ^​1​,…,ξ^​N​, the empirical distribution is P^N=1N∑i=1Nδξ^i\hat P_N = \frac1N\sum_{i=1}^N \delta_{\hat\xi_i}P^N​=N1​∑i=1N​δξ^​i​​. Centered at P^N\hat P_NP^N​, the Wasserstein ambiguity set of radius ε≥0\varepsilon \ge 0ε≥0 is

Bε,p(P^N)={Q∈P(Ξ):Wp(Q,P^N)≤ε},B_{\varepsilon,p}(\hat P_N) = \{Q \in \mathcal{P}(\Xi) : W_p(Q,\hat P_N) \le \varepsilon\},Bε,p​(P^N​)={Q∈P(Ξ):Wp​(Q,P^N​)≤ε},

where Ξ⊆E\Xi \subseteq EΞ⊆E is a closed set known to contain the support of the true distribution. The worst-case risk of a loss function ℓ\ellℓ is

Rε,p(P^N,ℓ)=sup⁡Q∈Bε,p(P^N)EQ[ℓ(ξ)],R_{\varepsilon,p}(\hat P_N,\ell) = \sup_{Q \in B_{\varepsilon,p}(\hat P_N)} \mathbb{E}_Q[\ell(\xi)],Rε,p​(P^N​,ℓ)=Q∈Bε,p​(P^N​)sup​EQ​[ℓ(ξ)],

and minimizing it over a class of admissible loss functions L\mathcal{L}L is a distributionally robust optimization problem. ε\varepsilonε measures the estimation error one insures against; a larger ambiguity set gives a more conservative (and more expensive) guarantee.

Formalization targets

Goal — Theorem 7, strong duality

Rε,p(P^N,ℓ)=inf⁡γ≥0 EP^N[ℓγ(ξ)]+γεp,ℓγ(ξ)=sup⁡z∈Ξℓ(z)−γ∥z−ξ∥p.R_{\varepsilon,p}(\hat P_N,\ell) = \inf_{\gamma \ge 0}\ \mathbb{E}_{\hat P_N}[\ell_\gamma(\xi)] + \gamma\varepsilon^p,\qquad \ell_\gamma(\xi) = \sup_{z\in\Xi} \ell(z) - \gamma\|z-\xi\|^p.Rε,p​(P^N​,ℓ)=γ≥0inf​ EP^N​​[ℓγ​(ξ)]+γεp,ℓγ​(ξ)=z∈Ξsup​ℓ(z)−γ∥z−ξ∥p.

This is the Lagrangian dual of the worst-case risk evaluation problem, with γ\gammaγ the multiplier of the Wasserstein constraint Wp(Q,P^N)≤εW_p(Q,\hat P_N)\le\varepsilonWp​(Q,P^N​)≤ε: it converts a supremum over an infinite-dimensional space of measures into a one-dimensional minimization of the Moreau-Yosida regularization ℓγ\ell_\gammaℓγ​. Every tractability result later in the chapter (finite convex reformulations, SDP relaxations) specializes this duality by choosing a loss class for which ℓγ\ell_\gammaℓγ​ is computable.

Supporting dual representations of WpW_pWp​ — Theorems 1 and 2

Wpp(Q,Q′)=sup⁡{∫ψ dQ′−∫φ dQ:φ,ψ bounded continuous, ψ(ξ)−φ(ξ′)≤∥ξ−ξ′∥p}W_p^p(Q,Q') = \sup\left\{\int \psi\,dQ' - \int \varphi\,dQ : \varphi,\psi \text{ bounded continuous},\ \psi(\xi)-\varphi(\xi') \le \|\xi-\xi'\|^p\right\}Wpp​(Q,Q′)=sup{∫ψdQ′−∫φdQ:φ,ψ bounded continuous, ψ(ξ)−φ(ξ′)≤∥ξ−ξ′∥p} W1(Q,Q′)=sup⁡Lip(φ)≤1∫φ dQ−∫φ dQ′W_1(Q,Q') = \sup_{\mathrm{Lip}(\varphi)\le 1} \int \varphi\,dQ - \int \varphi\,dQ'W1​(Q,Q′)=Lip(φ)≤1sup​∫φdQ−∫φdQ′

These identify WpW_pWp​ as a linear program's strong dual (Theorem 1) and, for p=1p=1p=1, specialize it to the Kantorovich-Rubinstein form (Theorem 2), which is what lets the worst-case-risk analysis reason about Lipschitz loss functions directly.

Upper and lower bounds — Theorems 5 and 6

Rε,p(P^N,ℓ)≤R(P^N,ℓ)+ε⋅Lip(ℓ)R_{\varepsilon,p}(\hat P_N,\ell) \le R(\hat P_N,\ell) + \varepsilon\cdot\mathrm{Lip}(\ell)Rε,p​(P^N​,ℓ)≤R(P^N​,ℓ)+ε⋅Lip(ℓ) Rε,p(P^N,ℓ)≥sup⁡{1N∑iℓ(ξ^i+θi):ξ^i+θi∈Ξ, 1N∑i∥θi∥p≤εp}R_{\varepsilon,p}(\hat P_N,\ell) \ge \sup\left\{\tfrac1N\textstyle\sum_i \ell(\hat\xi_i+\theta_i) : \hat\xi_i+\theta_i\in\Xi,\ \tfrac1N\textstyle\sum_i\|\theta_i\|^p\le\varepsilon^p\right\}Rε,p​(P^N​,ℓ)≥sup{N1​∑i​ℓ(ξ^​i​+θi​):ξ^​i​+θi​∈Ξ, N1​∑i​∥θi​∥p≤εp}

These are the tractable, easily-computed bracket that Theorems 7 and 10 later show is tight in important special cases.

Exact case — Theorem 10

Ξ=Rm, ℓ convex, p=1  ⟹  Rε,1(P^N,ℓ)=R(P^N,ℓ)+ε Lip(ℓ)\Xi = \mathbb{R}^m,\ \ell \text{ convex},\ p=1 \implies R_{\varepsilon,1}(\hat P_N,\ell) = R(\hat P_N,\ell) + \varepsilon\,\mathrm{Lip}(\ell)Ξ=Rm, ℓ convex, p=1⟹Rε,1​(P^N​,ℓ)=R(P^N​,ℓ)+εLip(ℓ)

Theorem 5's inequality becomes exact under convexity — the cleanest closing corollary of the duality theory, obtained from Theorem 7 by evaluating the Moreau-Yosida regularization of a convex function explicitly.

Significance

Theorem 7 is the hinge on which the entire computational program of Wasserstein distributionally robust optimization turns: every tractable reformulation in the source chapter (piecewise-concave losses via conic duality, quadratic losses via semidefinite programming, the shrinkage-estimator connection) is obtained by substituting a specific loss class into the right-hand side of Theorem 7 and showing the resulting Moreau-Yosida regularization is computable. Kuhn et al. themselves derive it as a corollary of Blanchet & Murthy (2019) and Gao & Kleywegt (2016) for the empirical case, generalized to Polish spaces by Blanchet & Murthy and Gao & Kleywegt independently — the paper cites [12] and [37] for the general statement. Formalizing it is what makes every later, more computational result in the chapter — the ones a solver is more likely to reach for next — rest on a mechanically verified foundation rather than a citation chain.

Status. The mathematical result is well established (multiple independent published proofs cited above); nothing here is open research. What this mission contributes is the first machine-checked formal statement of the duality theorem and its supporting dual representations (Theorems 1, 2, 5, 6, 10) on the Prove2Me platform — none of Wp's dual representation, the Wasserstein ambiguity set, or the worst-case risk functional exist there prior to this mission (see Formalization scope).

Difficulty

The obvious proof strategy — write down the Lagrangian of the semi-infinite program (6), swap the order of the outer supremum over QQQ and the inner minimization over the multiplier γ\gammaγ, and invoke ordinary Lagrangian strong duality — fails because (6) is an infinite- dimensional linear program over measures, not a finite convex program: there is no compact feasible set or Slater point in a form that ordinary finite-dimensional duality applies to directly. The actual proof goes through the dual representation of the Wasserstein distance itself (Theorem 1, which is why it is a prerequisite milestone), reformulating the constraint Wp(Q,P^N)≤εW_p(Q,\hat P_N)\le\varepsilonWp​(Q,P^N​)≤ε via its own dual variables and swapping the resulting sup-inf using minimax theorems for semi-infinite programs, not ordinary Lagrangian duality for finite programs.

Formalization scope

EEE is a generic finite-dimensional real normed space (NormedAddCommGroup, NormedSpace ℝ, Borel-measurable), representing Rm\mathbb{R}^mRm with the paper's arbitrary fixed norm as a parameter rather than fixing the Euclidean norm. A coupling is formalized directly via MeasureTheory.Measure.map: π.map Prod.fst = Q ∧ π.map Prod.snd = Q'. Constrained infima/suprema (over couplings, over the ambiguity set, over Lipschitz test functions, over perturbation matrices) use Mathlib's guarded-binder idiom ⨅ x (_ : P x), f x, which correctly returns ⊤\top⊤ (resp. ⊥\bot⊥) outside the feasible set rather than a finite junk value.

Two deliberate, disclosed conventions keep the extremal-value definitions faithful without extended-real integration machinery, both recorded in MODERATION_NOTES.md:

  1. worstCaseRisk and the dual representations (Theorems 1, 2) are valued in EReal, not ℝ, so an unbounded supremum is recorded as +∞+\infty+∞ rather than collapsed to Mathlib's real-valued junk value 0 on an unbounded family.
  2. The goal theorem (7) and its Moreau-Yosida regularization restrict the loss function to bounded continuous ℓ\ellℓ (BoundedContinuousFunction E ℝ), narrower than the paper's general upper-semicontinuous, P^N\hat P_NP^N​-integrable loss class L\mathcal{L}L (Assumption 1). This keeps ℓγ(ξ)=sup⁡z∈Ξℓ(z)−γ∥z−ξ∥p\ell_\gamma(\xi) = \sup_{z\in\Xi}\ell(z)-\gamma\|z-\xi\|^pℓγ​(ξ)=supz∈Ξ​ℓ(z)−γ∥z−ξ∥p a finite real number for every nonempty Ξ\XiΞ, so the right-hand side's Bochner integral is well-posed; the milestones (Theorems 5, 6, 10) keep the more general real-valued (not necessarily bounded) loss class, since their statements do not require evaluating a pointwise supremum over Ξ\XiΞ.
  3. Ξ is required closed in Theorems 5, 6 and 7, matching the paper's own standing assumption (p. 6: "we let Ξ⊆Rm\Xi\subseteq\mathbb{R}^mΞ⊆Rm be a closed set that is known to contain the support of PPP") for the whole worst-case-risk framework, which is used silently in the paper wherever a theorem takes Ξ\XiΞ as an argument but was not carried into these theorems' own hypothesis lists in an earlier draft.
  4. The goal theorem (7) additionally requires P^N\hat P_NP^N​ itself supported on Ξ\XiΞ (P^N(Ξc)=0\hat P_N(\Xi^c)=0P^N​(Ξc)=0, the same "supported on Ξ\XiΞ" convention ambiguitySet uses for Q∈P(Ξ)Q\in\mathcal P(\Xi)Q∈P(Ξ)), which the paper's framework presupposes for the nominal distribution throughout §2. Combined with ℓ\ellℓ bounded, this makes ℓγ\ell_\gammaℓγ​ bounded on the full-measure set Ξ\XiΞ (above by sup⁡ℓ\sup\ellsupℓ unconditionally, below by ℓ(ξ)\ell(\xi)ℓ(ξ) itself via z=ξz=\xiz=ξ for ξ∈Ξ\xi\in\Xiξ∈Ξ), which is what makes the right-hand side's integral genuinely well-posed rather than liable to Mathlib's non-integrable junk value 000.

There is no trivializing formalization risk from a vacuous hypothesis: Ξ.Nonempty and 0 < N are both required exactly where the paper's own indexing and support assumptions require them, and every extremal value uses the extended-real convention above rather than a convention that would make an inequality vacuously true.

No definition in this mission exists on the platform prior to this series (GET /theorems?q=Wasserstein, q=Kantorovich, q=optimal transport, q=coupling return only unrelated discrete/finite-type constructions); all seven definitions and six theorems are drafted fresh. WassersteinDRO.Duality.wassersteinDistance, .ambiguitySet and .worstCaseRisk are the substrate every later mission in this five-part series (Gelbrich tractability, finite-sample guarantees, regularization, shrinkage estimation) either imports directly or redefines locally per the series' reuse rule.

Selected references

  • Kuhn, D., Mohajerin Esfahani, P., Nguyen, V. A., & Shafieezadeh-Abadeh, S. (2019). Wasserstein Distributionally Robust Optimization: Theory and Applications in Machine Learning. INFORMS TutORials in Operations Research, 130–166. https://doi.org/10.1287/educ.2019.0198
  • Villani, C. (2009). Optimal Transport: Old and New. Springer. (Cited as [108] for Theorems 1 and 2.)
  • Smith, J. E., & Winkler, R. L. (2006). The optimizer's curse: Skepticism and postdecision surprise in decision analysis. Management Science, 52(3), 311–322. https://doi.org/10.1287/mnsc.1050.0451
  • Gao, R., & Kleywegt, A. J. (2016). Distributionally Robust Stochastic Optimization with Wasserstein Distance. arXiv:1604.02199.
  • Blanchet, J., & Murthy, K. (2019). Quantifying Distributional Model Risk via Optimal Transport. Mathematics of Operations Research, 44(2), 565–600. https://doi.org/10.1287/moor.2018.0936
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Foundations of Machine Learning XIV: Finite Markov Decision Processes and Bellman's EquationsTextbook

Motivation

Reinforcement learning formalizes a scenario supervised learning cannot: an agent that actively interacts with an environment, choosing actions that change both the state it observes next and the reward it receives, rather than passively receiving an i.i.d. labeled sample. Every practical treatment of this scenario — from classical dynamic programming to modern deep reinforcement learning — is built on the Markov decision process (MDP), a model in which the effect of an action depends only on the current state, not on the full history that led to it. Two questions define the theory this mission covers: given a fixed way of acting (a policy), what value does it obtain, and how is that value actually computed rather than merely characterized as the solution of a fixed-point equation? Mohri, Rostamizadeh and Talwalkar's chapter 17 answers both for the stationary, infinite-horizon discounted case, and this mission targets its two central results: that a fixed policy's value is not just characterized but uniquely determined by a linear system with an explicit closed-form solution (Theorem 17.10), and that the optimal value function — obtained instead by choosing the best action at every state — can be computed by an iterative algorithm guaranteed to converge regardless of where it starts (Theorem 17.11).

Setting

A (finite) Markov decision process consists of a finite set of states SSS, a finite set of actions AAA, a transition kernel P[s′∣s,a]P[s'\mid s,a]P[s′∣s,a] giving the distribution over the next state s′s's′ after taking action aaa at state sss, and an expected reward E[r(s,a)]\mathbb E[r(s,a)]E[r(s,a)] for that transition. A (stationary) policy π:S→Δ(A)\pi:S\to\Delta(A)π:S→Δ(A) assigns each state a distribution over actions — possibly, but not necessarily, a point mass on a single action. Fixing π\piπ turns the MDP into an ordinary Markov chain on SSS: at each step the agent is at some state sss, draws a∼π(s)a\sim\pi(s)a∼π(s), receives (expected) reward E[r(s,a)]\mathbb E[r(s,a)]E[r(s,a)], and moves to a state drawn from P[⋅∣s,a]P[\cdot\mid s,a]P[⋅∣s,a]. For a discount factor γ∈[0,1)\gamma\in[0,1)γ∈[0,1), the value of π\piπ at sss is the expected discounted sum of future rewards starting from sss,

Vπ(s)=Eat∼π(st)[∑t=0+∞γtr(st,at)  ∣  s0=s],V_\pi(s) = \mathbb E_{a_t\sim\pi(s_t)}\Big[\sum_{t=0}^{+\infty}\gamma^t r(s_t,a_t) \;\Big|\; s_0=s\Big],Vπ​(s)=Eat​∼π(st​)​[t=0∑+∞​γtr(st​,at​)​s0​=s],

and the state-action value function Qπ(s,a)Q_\pi(s,a)Qπ​(s,a) is the analogous quantity for taking aaa at sss and then following π\piπ. Marginalizing the raw kernel and reward over the mixed action π(s)\pi(s)π(s) gives the induced transition matrix Ps,s′=P[s′∣s,π(s)]=∑aπ(s)(a)P[s′∣s,a]P_{s,s'}=P[s'\mid s,\pi(s)]=\sum_a \pi(s)(a) P[s'\mid s,a]Ps,s′​=P[s′∣s,π(s)]=∑a​π(s)(a)P[s′∣s,a] and induced reward vector Rs=E[r(s,π(s))]=∑aπ(s)(a) E[r(s,a)]R_s=\mathbb E[r(s,\pi(s))]=\sum_a\pi(s)(a)\,\mathbb E[r(s,a)]Rs​=E[r(s,π(s))]=∑a​π(s)(a)E[r(s,a)] — the objects that turn π\piπ's value into a genuinely linear-algebraic quantity. A policy π∗\pi^*π∗ is optimal if Vπ∗(s)≥Vπ(s)V_{\pi^*}(s)\ge V_\pi(s)Vπ∗​(s)≥Vπ​(s) for every policy π\piπ and every state sss; write V∗V^*V∗ for its value function.

Formalization targets

Theorem 17.10 (goal). For a finite MDP and a fixed policy π\piπ, the matrix I−γPI-\gamma PI−γP (with PPP the policy-induced transition matrix) is invertible, and π\piπ's value function is the unique solution of the Bellman equations, given in closed form by

Vπ=(I−γP)−1R.V_\pi = (I-\gamma P)^{-1} R.Vπ​=(I−γP)−1R.

Proposition 17.9 (milestone). The value function itself satisfies the linear system that Theorem 17.10 solves:

∀s∈S,Vπ(s)=Ea∼π(s)[r(s,a)]+γ∑s′P[s′∣s,π(s)] Vπ(s′).\forall s\in S,\quad V_\pi(s) = \mathbb E_{a\sim\pi(s)}[r(s,a)] + \gamma\sum_{s'} P[s'\mid s,\pi(s)]\,V_\pi(s').∀s∈S,Vπ​(s)=Ea∼π(s)​[r(s,a)]+γs′∑​P[s′∣s,π(s)]Vπ​(s′).

Theorem 17.7 (milestone). A policy π\piπ is optimal if and only if it places probability only on QπQ_\piQπ​-maximizing actions: for every (s,a)(s,a)(s,a) with π(s)(a)>0\pi(s)(a)>0π(s)(a)>0, a∈argmax⁡a′Qπ(s,a′)a\in \operatorname{argmax}_{a'} Q_\pi(s,a')a∈argmaxa′​Qπ​(s,a′).

Theorem 17.11 (milestone). The Bellman optimality operator Φ\PhiΦ, [Φ(V)](s)=max⁡a{E[r(s,a)]+γ∑s′P[s′∣s,a]V(s′)}[\Phi(V)](s)=\max_{a} \{\mathbb E[r(s,a)]+\gamma\sum_{s'}P[s'\mid s,a]V(s')\}[Φ(V)](s)=maxa​{E[r(s,a)]+γ∑s′​P[s′∣s,a]V(s′)}, is a γ\gammaγ-contraction for ∥⋅∥∞\lVert\cdot\rVert_\infty∥⋅∥∞​; consequently, for any starting vector V0V_0V0​, the value-iteration sequence Vn+1=Φ(Vn)V_{n+1}=\Phi(V_n)Vn+1​=Φ(Vn​) converges to a fixed point of Φ\PhiΦ.

Significance

Theorem 17.10 is what makes policy evaluation on a finite MDP an exact, finite computation rather than an infinite limit: instead of summing an infinite discounted series or solving an implicit fixed-point equation numerically, a single ∣S∣×∣S∣|S|\times|S|∣S∣×∣S∣ matrix inversion gives the policy's value at every state simultaneously. It is also the base case every planning algorithm in the chapter builds on: policy iteration alternates optimizing a policy with exactly this evaluation step. Theorem 17.11 gives the complementary guarantee for the harder problem of finding the optimal value function directly, without fixing a policy first: value iteration converges from any starting point, with a convergence rate (O(log⁡(1/ϵ))O(\log(1/\epsilon))O(log(1/ϵ)) iterations for ϵ\epsilonϵ-accuracy) that follows from the same contraction argument. Together, the two results are the mathematical content behind why dynamic-programming planning for finite MDPs is tractable at all — the discount factor γ<1\gamma<1γ<1, not any structural assumption on rewards or transitions, is what buys both the uniqueness in Theorem 17.10 and the convergence in Theorem 17.11. Formalizing them requires reproducing this linear-algebraic and metric content precisely, not just asserting the conclusions: an invertibility claim asserted without the operator-norm argument, or a convergence claim without the contraction property, would state something true by fiat rather than the book's actual result. No faithful prior art exists on the platform for this exact model (see Formalization scope).

Difficulty

The obvious shortcut for Theorem 17.10 is to assert I−γPI-\gamma PI−γP is invertible without proof — true, but not what the book does, and not informative about why it holds. The genuine content is that PPP, being row-stochastic (every row of PPP sums to exactly 111, since π(s)\pi(s)π(s) and P[⋅∣s,a]P[\cdot\mid s,a]P[⋅∣s,a] are both proper distributions), has operator norm ∥P∥∞=1\lVert P\rVert_\infty=1∥P∥∞​=1 exactly, so ∥γP∥∞=γ<1\lVert\gamma P\rVert_\infty=\gamma<1∥γP∥∞​=γ<1 strictly; this rules out 111 as an eigenvalue of γP\gamma PγP, which is exactly what invertibility of I−γPI-\gamma PI−γP requires. The same γ<1\gamma<1γ<1 fact, applied differently, drives Theorem 17.11: showing Φ\PhiΦ is γ\gammaγ-Lipschitz requires bounding Φ(V)(s)−Φ(U)(s)\Phi(V)(s)-\Phi(U)(s)Φ(V)(s)−Φ(U)(s) by comparing the maximizing action for VVV against the same action's value under UUU (not UUU's own maximizer), since the two suprema need not be attained at the same action — a step easy to state incorrectly as a direct comparison of two maxima. Both theorems fail if γ=1\gamma=1γ=1 is allowed: the discounted setting's central asset, a strict contraction, disappears exactly at that boundary.

Formalization scope

States and actions are modeled as finite types (Fintype S, Fintype A); the raw kernel and reward P : S → A → S → ℝ, Er : S → A → ℝ are unconstrained functions, with IsTransitionKernel asserting the required distribution property explicitly rather than assuming it silently. A policy is π : S → A → ℝ with IsPolicy π asserting π s is a distribution over A for every s — deliberately not π : S → A or a PMF-valued function, since Theorem 17.7's own quantifier ("for any pair (s,a) with π(s)(a) > 0") requires treating π(s) as a genuine mixture. PolicyValue is defined as the actual infinite discounted expectation (via an explicit state-occupation-distribution recursion), not as the Bellman fixed point — so that Proposition 17.9 (the value function satisfies the linear system) and Theorem 17.10 (that system has a unique, invertible-matrix solution) are both non-vacuous claims about the same object, rather than one being definitionally true of the other. The trivializing formalization this rules out is asserting IsUnit (1 - γ • P) as a bare hypothesis, or defining V_π as (1-γP)⁻¹R and calling the resulting identity a theorem; both would erase the mission's actual content. Two platform modules model related MDPs (BertsekasSSPModel, a stochastic-shortest-path model with a termination-probability deficit rather than exact row-stochasticity, and FoundationsRL.RLBasics, a finite-horizon episodic model indexed by layer) — neither specializes exactly to this chapter's stationary, always-continuing, infinite-horizon discounted convention, so every definition here is drafted fresh rather than imported. This chunk covers §17.2–17.4.2 (the MDP model, policy value, Bellman's equations, value and policy iteration); §17.4.3 (the linear-programming formulation) and §17.5 (stochastic-approximation learning algorithms — TD(0), Q-learning, SARSA) are out of scope, since they require a stochastic-approximation convergence substrate this mission does not build.

Selected references

  • Mohri, M., Rostamizadeh, A., and Talwalkar, A. Foundations of Machine Learning, 2nd ed., chapter 17. MIT Press, 2018.
  • Bellman, R. Dynamic Programming. Princeton University Press, 1957.
  • Puterman, M. L. Markov Decision Processes: Discrete Stochastic Dynamic Programming. Wiley, 1994.
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Foundations of Machine Learning XII: Algorithmic StabilityTextbook

Motivation

Every generalization bound in Chapters 2-11 depends only on the complexity of a fixed hypothesis set HHH — Rademacher complexity, VC-dimension, growth function — and holds regardless of which algorithm within HHH actually returns the hypothesis. This is both a strength (broad applicability) and a limitation: it throws away everything specific to how an algorithm searches HHH, and can be uninformative when HHH itself is large or unbounded (e.g. a regularized objective that implicitly restricts the search without shrinking HHH as a set). Chapter 14 introduces a fundamentally different route to a generalization bound — a property of the algorithm rather than the hypothesis class — first used by Devroye, Rogers and Wagner for kkk-nearest-neighbor rules and given its modern general form by Bousquet and Elisseeff (2002), whose treatment this chapter follows and (for non-differentiable convex losses) extends.

Setting

A labeled example is z=(x,y)∈X×Yz=(x,y)\in X\times Yz=(x,y)∈X×Y; for a loss function L:Y′×Y→R+L:Y'\times Y\to\mathbb R_+L:Y′×Y→R+​ (where Y′Y'Y′ may differ from YYY, e.g. Y={−1,+1}Y=\{-1,+1\}Y={−1,+1} but Y′=RY'=\mathbb RY′=R for a real-valued hypothesis), the loss of a hypothesis hhh at zzz is Lz(h)=L(h(x),y)L_z(h)=L(h(x),y)Lz​(h)=L(h(x),y). Given a learning algorithm AAA that maps a sample SSS of size mmm to a hypothesis hS∈Hh_S\in HhS​∈H, the empirical error and generalization error are R^S(h)=1m∑iLzi(h)\hat R_S(h)=\frac1m\sum_iL_{z_i}(h)R^S​(h)=m1​∑i​Lzi​​(h) and R(h)=Ez∼D[Lz(h)]R(h)=\mathbb E_{z\sim D}[L_z(h)]R(h)=Ez∼D​[Lz​(h)]. Uniform β\betaβ-stability (Definition 14.1) says: for any two samples SSS, S′S'S′ differing by a single point, the algorithm's returned hypotheses satisfy ∣Lz(hS)−Lz(hS′)∣≤β|L_z(h_S)-L_z(h_{S'})|\le\beta∣Lz​(hS​)−Lz​(hS′​)∣≤β for every zzz — replacing one training point can change the algorithm's loss on any point by at most β\betaβ. For the regularized algorithms studied in §14.3, a kernel-based regularization algorithm minimizes FS(h)=R^S(h)+λ∥h∥K2F_S(h)=\hat R_S(h)+ \lambda\|h\|_K^2FS​(h)=R^S​(h)+λ∥h∥K2​ over the RKHS HHH of a positive-definite kernel KKK, and a loss LLL is σ\sigmaσ-admissible (Definition 14.3) if ∣L(h′(x),y)−L(h(x),y)∣≤σ∣h′(x)−h(x)∣|L(h'(x),y)-L(h(x),y)|\le\sigma|h'(x)-h(x)|∣L(h′(x),y)−L(h(x),y)∣≤σ∣h′(x)−h(x)∣ for all hypotheses h,h′h,h'h,h′ — a Lipschitz-like smoothness condition satisfied by the standard regression and classification losses.

Formalization targets

Proposition 14.4 (milestone). For a PDS kernel KKK with K(x,x)≤r2K(x,x)\le r^2K(x,x)≤r2 and a convex, σ\sigmaσ-admissible loss LLL, the kernel-based regularization algorithm is β\betaβ-stable with

β≤σ2r2mλ.\beta \le \frac{\sigma^2r^2}{m\lambda}.β≤mλσ2r2​.

Corollary 14.5 (milestone). For SVR (the ϵ\epsilonϵ-insensitive loss LϵL_\epsilonLϵ​, bounded by MMM), with probability at least 1−δ1-\delta1−δ:

R(hS)≤R^S(hS)+r2mλ+(2r2λ+M)log⁡(1/δ)2m.R(h_S) \le \hat R_S(h_S) + \frac{r^2}{m\lambda} + \Big(\frac{2r^2}\lambda+M\Big)\sqrt{\frac{\log(1/\delta)}{2m}}.R(hS​)≤R^S​(hS​)+mλr2​+(λ2r2​+M)2mlog(1/δ)​​.

Theorem 14.2 — the mission's goal. For a loss bounded by MMM and a β\betaβ-stable algorithm AAA, with probability at least 1−δ1-\delta1−δ over a sample SSS of size mmm:

R(hS)≤R^S(hS)+β+(2mβ+M)log⁡(1/δ)2m.R(h_S) \le \hat R_S(h_S) + \beta + (2m\beta+M)\sqrt{\frac{\log(1/\delta)}{2m}}.R(hS​)≤R^S​(hS​)+β+(2mβ+M)2mlog(1/δ)​​.

Significance

Theorem 14.2 is the book's demonstration that algorithm-dependent analysis is not merely a special-case curiosity: it is broad enough to cover an entire family (every kernel-based regularization algorithm — KRR, SVR, SVMs, and beyond) uniformly, via a single stability coefficient computation (Proposition 14.4) that is then specialized per algorithm just by plugging in that loss's admissibility constant σ\sigmaσ. Corollary 14.5's SVR bound is the concrete payoff: a fully explicit, dimension-free generalization guarantee for a widely used regression algorithm, with every constant (rrr, λ\lambdaλ, mmm) traceable to the algorithm's own hyperparameters, no VC-dimension or Rademacher-complexity computation required. Unlike Chapters 3-11, whose bounds are oblivious to how HHH is searched, algorithmic stability is the first tool in the book that can, in principle, certify generalization for a hypothesis class too large or poorly understood for a complexity-based bound to be informative, provided the algorithm itself is stable. No prior art on the Prove2Me platform is faithful: GET /theorems?q=algorithmic+stability, q=uniform+stability return no hits; q=McDiarmid returns only bounded_diff_martingale_two_sided (Boucheron-Lugosi-Massart's own two-sided bounded-differences martingale inequality), which is McDiarmid's inequality's own proof engine (the background result Theorem 14.2's proof applies), not any result of this chapter — a different mathematical object entirely, not reused. All eleven items are drafted fresh.

Not formalized here: Corollary 14.6 (KRR bound), Lemma 14.7 (boundedness of kernel-regularization hypotheses) and Corollary 14.8 (SVM bound). Corollary 14.6 is structurally identical to Corollary 14.5 (a different loss function's admissibility constant plugged into the same Proposition 14.4 + Theorem 14.2 chain) and adds no new formalization content beyond Corollary 14.5, already drafted; Lemma 14.7 and Corollary 14.8 are omitted together, since 14.8's own statement needs 14.7's bound on ∣hS(x)∣|h_S(x)|∣hS​(x)∣ to compute its explicit MMM (unlike Corollary 14.5, which is given MMM as a hypothesis) — a genuine additional formalization layer (the reproducing-kernel norm bound ∣hS(x)∣≤rB/λ|h_S(x)|\le r\sqrt{B/\lambda}∣hS​(x)∣≤rB/λ​) disproportionate to a single further corollary within this mission's budget.

Difficulty

The chapter's central technical step is recognizing that β\betaβ-stability plus the loss bound MMM together give exactly the bounded-difference property McDiarmid's inequality needs, applied to Φ(S)=R(hS)−R^S(hS)\Phi(S)=R(h_S)-\hat R_S(h_S)Φ(S)=R(hS​)−R^S​(hS​) as a function of the sample: replacing one point of SSS changes R(hS)R(h_S)R(hS​) by at most β\betaβ (stability applied to the population loss, an expectation over zzz) and changes R^S(hS)\hat R_S(h_S)R^S​(hS​) by at most β+M/m\beta+M/mβ+M/m (stability on the m−1m-1m−1 shared points, plus the full loss bound M/mM/mM/m on the one point that actually changed) — two different, asymmetric arguments that must be combined correctly to get ∣Φ(S)−Φ(S′)∣≤2β+M/m|\Phi(S)-\Phi(S')|\le 2\beta+M/m∣Φ(S)−Φ(S′)∣≤2β+M/m, not merely "stability implies boundedness" asserted directly. Proposition 14.4's own proof (not formalized here beyond its statement) needs a generalized Bregman divergence to handle a possibly non-differentiable convex loss — an extension of Bousquet-Elisseeff's original argument the book credits to itself as novel — via the reproducing-kernel property and Cauchy-Schwarz to convert a divergence bound into a bound on ∥h−h′∥K\|h-h'\|_K∥h−h′∥K​, then back into a pointwise loss bound.

Formalization scope

IsRKHSOf/IsMinimizer are restated locally in Stability, byte-identical to chunk 06-kernels's own copies (a draft item cannot import another chunk's draft module); H is an abstract real inner-product space with an evaluation map ev : H → X → ℝ standing for "elements of H are functions on X", the same device chunk 06's own RKHS formalization uses, since Mathlib's abstract Hilbert spaces are not themselves spaces of functions. UniformlyStable fixes the sample size m as part of the algorithm's type (A : (Fin m → X × Y) → (X → Y')), matching the book's own standing convention of a fixed sample size m throughout the chapter. Proposition 14.4 is stated pairwise — for any two samples differing by one point and any minimizers of their respective regularized objectives, the pointwise loss bound holds — rather than fixing a global choice-function algorithm A, since the book's own proof picks an arbitrary minimizer of each objective without asserting uniqueness; Corollary 14.5 does fix a choice function A (one minimizer per sample), since Theorem 14.2's own statement needs a single algorithm evaluated across the whole product-measure sample space. No numerical constant in any of the three theorems is altered from the book's own displayed form. A trivializing formalization this mission avoids: stating Theorem 14.2 only for the strict per-hypothesis loss bound (∀ h ∈ H, ∀ z, L_z(h) ≤ M) rather than the book's own weaker, algorithm-specific condition (hbound, ∀ S, ∀ z, L_z(A S) ≤ M) — the weaker hypothesis is kept, exactly matching the book's explicit statement that "a weaker condition suffices."

Selected references

  • M. Mohri, A. Rostamizadeh, A. Talwalkar, Foundations of Machine Learning, 2nd ed., MIT Press, 2018, Chapter 14.
  • O. Bousquet, A. Elisseeff, "Stability and generalization," Journal of Machine Learning Research 2, 2002, 499-526.
  • M. Kearns, D. Ron, "Algorithmic stability and sanity-check bounds for leave-one-out cross-validation," Neural Computation 11(6), 1999, 1427-1453.
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Foundations of Machine Learning XI: Maximum Entropy Models and DualityTextbook

Motivation

Maximum entropy (Maxent) models are a widely used family of density-estimation algorithms: given a sample and a set of features, they select the distribution that matches the empirical feature averages while being otherwise as "agnostic" (close to a prior, usually uniform) as possible — a principle that, notably, never requires specifying a parametric family of distributions to search over. This mission formalizes the theorem that explains why this works in practice: Maxent's primal optimization (over distributions, subject to feature-matching constraints) is exactly dual to an unconstrained maximum-likelihood problem over a specific, rich parametric family — the Gibbs distributions — even though the Maxent principle never mentions that family at all.

Setting

For a sample S=(x1,…,xm)S=(x_1,\dots,x_m)S=(x1​,…,xm​) drawn i.i.d. from DDD over a finite set XXX, and a feature map Φ:X→RN\Phi:X\to\mathbb R^NΦ:X→RN with ∥Φ∥∞≤r\|\Phi\|_\infty\le r∥Φ∥∞​≤r, the Maxent principle seeks p∈Δp\in\Deltap∈Δ (the simplex of distributions over XXX) minimizing the relative entropy D(p∥p0)D(p\|p_0)D(p∥p0​) to a prior p0p_0p0​, subject to ∥Ex∼p[Φ(x)]−Ex∼D^[Φ(x)]∥∞≤λ\|E_{x\sim p}[\Phi(x)]-E_{x\sim\hat D}[\Phi(x)]\|_\infty\le\lambda∥Ex∼p​[Φ(x)]−Ex∼D^​[Φ(x)]∥∞​≤λ (problem 12.7). Introducing the indicator function IKI_KIK​ (000 on KKK, +∞+\infty+∞ elsewhere) turns this into the unconstrained primal objective F(p)=D~(p∥p0)+IC(Ep[Φ])F(p)=\tilde D(p\|p_0)+I_C(E_p[\Phi])F(p)=D~(p∥p0​)+IC​(Ep​[Φ]) (Eq. 12.8), with CCC the feature-constraint set. A Gibbs distribution with parameter w∈RNw\in\mathbb R^Nw∈RN is pw(x)=p0(x)ew⋅Φ(x)/Z(w)p_w(x)=p_0(x)e^{w\cdot\Phi(x)}/Z(w)pw​(x)=p0​(x)ew⋅Φ(x)/Z(w), Z(w)Z(w)Z(w) the partition function (Eq. 12.9); its associated dual objective is G(w)=1m∑ilog⁡pw(xi)p0(xi)−λ∥w∥1G(w)=\frac1m\sum_i\log\frac{p_w(x_i)}{p_0(x_i)}-\lambda\|w\|_1G(w)=m1​∑i​logp0​(xi​)pw​(xi​)​−λ∥w∥1​ (Eq. 12.10) — note −1m∑ilog⁡pw(xi)-\frac1m\sum_i\log p_w(x_i)−m1​∑i​logpw​(xi​) is exactly the empirical log-loss LS(w)L_S(w)LS​(w), so maximizing GGG is minimizing an L1-regularized log-loss over the Gibbs family.

Formalization targets

Theorem 12.2 — the mission's goal (Maxent duality). sup⁡w∈RNG(w)=min⁡pF(p)\sup_{w\in\mathbb R^N}G(w)=\min_pF(p)supw∈RN​G(w)=minp​F(p). Furthermore, letting p∗=arg⁡min⁡pF(p)p^*=\arg\min_pF(p)p∗=argminp​F(p) and d∗=sup⁡wG(w)d^*=\sup_wG(w)d∗=supw​G(w): for any ϵ>0\epsilon>0ϵ>0 and any www with ∣G(w)−d∗∣<ϵ|G(w)-d^*|<\epsilon∣G(w)−d∗∣<ϵ, D(p∗∥pw)≤ϵD(p^*\|p_w)\le\epsilonD(p∗∥pw​)≤ϵ.

Theorem 12.3 (Maxent L1-regularization generalization bound, milestone). Fix δ>0\delta>0δ>0. Let w^\hat ww^ solve the L1-regularized dual (12.12) with λ=2Rm(H)+rlog⁡(2/δ)/(2m)\lambda=2R_m(H)+r\sqrt{\log(2/\delta)/(2m)}λ=2Rm​(H)+rlog(2/δ)/(2m)​. Then, with probability at least 1−δ1-\delta1−δ,

LD(w^)≤inf⁡wLD(w)+2∥w^∥1[2Rm(H)+rlog⁡(2/δ)/(2m)].L_D(\hat w) \le \inf_wL_D(w) + 2\|\hat w\|_1\Big[2R_m(H)+r\sqrt{\log(2/\delta)/(2m)}\Big].LD​(w^)≤winf​LD​(w)+2∥w^∥1​[2Rm​(H)+rlog(2/δ)/(2m)​].

Significance

Theorem 12.2 is one of the most striking dualities in the book: the Maxent principle, phrased purely in terms of closeness to a prior distribution, turns out to always produce a solution in the Gibbs family — not because that family was ever specified, but because relative entropy is the specific measure of closeness whose Fenchel conjugate is the log-partition function. This explains a whole zoo of models (log-linear models, exponential families, Gaussian and bimodal Gibbs distributions from quadratic features) as instances of a single duality theorem, and gives a computationally friendlier route to the (constrained, infinite-if-XXX-is-large) primal problem via the (unconstrained, NNN-dimensional) dual. The theorem's proof is a genuine application of conditional (Fenchel) strong duality, not an unconditional fact — this is, per the chapter's own brief, the sharpest trivialization risk in the entire mission series, since "strong duality always holds for convex problems" is false in general, and a formalization skipping the book's own qualification condition (λ>0\lambda>0λ>0, placing u0u_0u0​ in the interior of the constraint set) would prove a different, potentially-false statement. No prior art on the platform is faithful: GET /theorems?q=maximum+entropy returns no hits, and Mathlib's generic Fenchel-conjugate machinery (Analysis/Convex/Conjugate) does not package the book's own specific qualification conditions as a single reusable theorem matching Theorem B.39 — reusing it inside a proof (not the audited statement) remains available to whoever proves this theorem later.

Not formalized here: Theorem 12.4 (a Bregman-divergence generalization of Theorem 12.2) and Theorem 12.5 (its L2-regularized concrete special case). BRIEF.md itself flags Theorem 12.4 as possibly too heavy and offers Theorem 12.5 as an easier alternative; this mission omits both, since even Theorem 12.5 requires a second, structurally parallel dual-objective-and-minimizer formalization (for L2 rather than L1 regularization) — disproportionate to this mission's budget once Theorem 12.2's own qualification-condition bookkeeping (the heaviest single item in this mission series) is accounted for. §12.1 (density estimation without features: ML/MAP), §12.7 (coordinate descent), and §12.8-12.9 (Bregman-divergence extensions, L2-regularization in general) are likewise out of scope, per BRIEF.md's own page-range restriction.

Difficulty

Theorem 12.2's proof is the book's own explicit application of the Fenchel duality theorem (Theorem B.39, Appendix B) to the specific triple f(p)=D~(p∥p0)f(p)=\tilde D(p\|p_0)f(p)=D~(p∥p0​), g(u)=IC(u)g(u)=I_C(u)g(u)=IC​(u), Ap=∑xp(x)Φ(x)Ap=\sum_xp(x)\Phi(x)Ap=∑x​p(x)Φ(x) — every qualification condition (A a bounded linear map, u_0\in A(\mathrm{dom}f)\cap\mathrm{cont}(g), needing \lambda>0 to place u_0 in int(C)) must be checked for this triple, not assumed generically; the conjugate computations themselves (f^*(q)=\log\sum_xp_0(x)e^{q(x)}$ via Lemma B.37, g^(w)=E_{\hat D}[w\cdot\Phi]+\lambda|w|_1 via the dual-norm identity) are specific algebraic derivations, not immediate from abstract duality alone. The second clause's proof needs a further, non-obvious algebraic identity (G(w)-D(p^|p_0)+D(p^|p_w)expanding, via Hölder's inequality applied to the primal feasibility ofp^, to something \le0) that is not a restatement of the first clause but a separate argument built on top of it. Theorem 12.3's proof structurally mirrors chunk 04's SRM bound (bounding L_D(\hat w)-L_S(\hat w)via Hölder's inequality and the Rademacher-complexity feature-concentration bound of Eq. 12.5, then using\hat w`'s optimality twice), but is applied to the log-loss of a Gibbs distribution rather than a generic bounded loss.

Formalization scope

MaxEntPrimalObjective uses EReal (the extended reals) so that the book's own +\infty values (from I_K, \tilde D) are represented exactly, matching the chapter's own explicit use of an extended-real-valued indicator function rather than a soft penalty — a trivializing formalization this mission avoids is silently replacing +\infty with a large real sentinel, which would misstate a convex-analysis object whose entire role in the proof is its infinite value outside the feasible/simplex set. hlam : 0 < lam is a genuine load-bearing hypothesis in the goal theorem, matching the book's own use of \lambda>0 to invoke Theorem B.39's qualification condition — not a free convexity assumption; this is the mission's central faithfulness guard against the chapter's own named trivialization risk. EmpiricalRademacherComplexity/ RademacherComplexity are restated locally, byte-identical to chunks 05-svm/07-boosting's own copies (a draft item cannot import another chunk's draft module). p^* in the goal theorem and \hat w in Theorem 12.3 are both quantified via explicit hypotheses (IsLeast, a minimizer inequality) rather than assumed to exist unconditionally, matching the book's own "let p^*=..."/"let \hat w be a solution of..." phrasing without asserting existence or uniqueness beyond what the book itself asserts. No numerical constant in either theorem is altered from the book's own displayed form.

Selected references

  • M. Mohri, A. Rostamizadeh, A. Talwalkar, Foundations of Machine Learning, 2nd ed., MIT Press, 2018, Chapter 12, §12.1-12.6.
  • E. T. Jaynes, "Information theory and statistical mechanics," Physical Review 106(4), 1957, 620-630.
  • S. Della Pietra, V. Della Pietra, J. Lafferty, "Inducing features of random fields," IEEE Transactions on Pattern Analysis and Machine Intelligence 19(4), 1997, 380-393.
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