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Understanding Machine Learning

Shalev-Shwartz and Ben-David's Understanding Machine Learning: PAC learning, VC dimension, and the fundamental theorem of statistical learning.

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Understanding Machine Learning I: The Statistical Learning Framework, ERM and Finite ClassesTextbook

Motivation

Chapters 2 and 3 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (Cambridge University Press, 2014, doi:10.1017/CBO9781107298019), set up the framework in which the whole book asks what learning is. A learner sees a sample drawn independently from an unknown distribution over examples, chooses a hypothesis from a class fixed in advance, and is judged by its risk, the expected loss on a fresh example. The natural rule is Empirical Risk Minimization: pick a hypothesis that does best on the sample. Chapter 2 shows that ERM over an unrestricted class overfits, that restricting the class is what makes learning possible, and that a finite class never overfits once the sample is larger than log⁡(∣H∣/δ)/ϵ\log(|H|/\delta)/\epsilonlog(∣H∣/δ)/ϵ (Corollary 2.3). Chapter 3 turns this into a definition, Probably Approximately Correct learnability with its sample-complexity function mH(ϵ,δ)m_H(\epsilon, \delta)mH​(ϵ,δ), restates the finite-class result as Corollary 3.2, and then generalizes in two directions that the rest of the book lives in: the agnostic model, in which no hypothesis need be perfect and the learner competes with the best hypothesis in the class, and general loss functions, which cover regression, multiclass prediction and unsupervised tasks. Chapter 4 adds the notion of an ε-representative sample and of uniform convergence, the tool by which the finite-class result extends to the agnostic case; its definitions are included here since they complete the framework.

Setting

A domain ZZZ of examples, a class HHH of hypotheses and a loss ℓ:H×Z→R\ell : H \times Z \to \mathbb{R}ℓ:H×Z→R. The risk of hhh under a distribution DDD is LD(h)=Ez∼D ℓ(h,z)L_D(h) = \mathbb{E}_{z \sim D}\,\ell(h, z)LD​(h)=Ez∼D​ℓ(h,z) and its empirical risk on S=(z1,…,zm)S = (z_1, \dots, z_m)S=(z1​,…,zm​) is LS(h)=1m∑iℓ(h,zi)L_S(h) = \frac1m\sum_i \ell(h, z_i)LS​(h)=m1​∑i​ℓ(h,zi​); a sample is drawn i.i.d., S∼DmS \sim D^mS∼Dm; an ERM hypothesis minimizes LSL_SLS​ over HHH; a learning algorithm maps samples of each size to hypotheses. In binary classification the examples are (x,f(x))(x, f(x))(x,f(x)) with x∼Dx \sim Dx∼D over XXX and fff a labeling function, and the true error is L(D,f)(h)=D({x:h(x)≠f(x)})L_{(D,f)}(h) = D(\{x : h(x) \ne f(x)\})L(D,f)​(h)=D({x:h(x)=f(x)}); the realizability assumption says some h⋆∈Hh^\star \in Hh⋆∈H has L(D,f)(h⋆)=0L_{(D,f)}(h^\star) = 0L(D,f)​(h⋆)=0. HHH is PAC learnable if some sample-complexity function mHm_HmH​ and algorithm guarantee, for all ϵ,δ∈(0,1)\epsilon, \delta \in (0,1)ϵ,δ∈(0,1), all DDD and all realizable fff, true error at most ϵ\epsilonϵ with probability at least 1−δ1 - \delta1−δ from m≥mH(ϵ,δ)m \ge m_H(\epsilon, \delta)m≥mH​(ϵ,δ) examples; agnostic PAC learnability with respect to a loss asks instead for LD(h)≤min⁡h′∈HLD(h′)+ϵL_D(h) \le \min_{h' \in H} L_D(h') + \epsilonLD​(h)≤minh′∈H​LD​(h′)+ϵ for every distribution over ZZZ.

Formalization targets

Goal: Corollary 3.2

Every finite hypothesis class is PAC learnable with sample complexity

mH(ϵ,δ)≤⌈log⁡(∣H∣/δ)ϵ⌉,m_H(\epsilon, \delta) \le \Big\lceil \frac{\log(|H|/\delta)}{\epsilon} \Big\rceil,mH​(ϵ,δ)≤⌈ϵlog(∣H∣/δ)​⌉,

by the ERM rule: for a nonempty finite class of measurable hypotheses there is an ERM learner satisfying the PAC guarantee with that sample-complexity function.

Milestone

Corollary 2.3: under realizability, with m≥log⁡(∣H∣/δ)/ϵm \ge \log(|H|/\delta)/\epsilonm≥log(∣H∣/δ)/ϵ examples, every ERM hypothesis has true error at most ϵ\epsilonϵ with probability at least 1−δ1 - \delta1−δ.

Significance

Corollaries 2.3 and 3.2 are the first learning theorem of the book and the template for all later sample-complexity bounds: a bad hypothesis is consistent with an i.i.d. sample with probability at most (1−ϵ)m≤e−ϵm(1 - \epsilon)^m \le e^{-\epsilon m}(1−ϵ)m≤e−ϵm, and a union bound over the class turns this into a guarantee that holds uniformly over all distributions and all realizable labelings. Everything that follows, uniform convergence for finite classes, the fundamental theorem for classes of finite VC dimension, structural risk minimization, replaces the count ∣H∣|H|∣H∣ by a finer measure of the class's complexity but keeps the argument. None of this is machine-checked. The mission fixes on the platform the objects that the rest of the series uses without change: risks, empirical risks, the product law of a sample, the ERM relation, and the four learnability notions of Definitions 3.1, 3.4, 4.1 and 4.3.

Difficulty

The milestone needs that, for a fixed measurable hypothesis whose true error exceeds ϵ\epsilonϵ, the product law gives the event "zero empirical risk" probability at most (1−ϵ)m(1-\epsilon)^m(1−ϵ)m; this is the product structure of Measure.pi on the event that each labeled example lies in the measurable set where the hypothesis agrees with fff, followed by 1−ϵ≤e−ϵ1 - \epsilon \le e^{-\epsilon}1−ϵ≤e−ϵ, the union bound over the finite class and the observation that under realizability every ERM hypothesis has zero empirical risk, so a bad ERM hypothesis is a consistent bad hypothesis. The goal packages this as a learner: existence of an ERM hypothesis for every sample (a finite nonempty class has a minimizer), and the arithmetic of the ceiling.

Formalization scope

The framework is the book's, with the risk as a Bochner integral, the sample law as a product measure, ERM as a relation and learners as deterministic functions of the sample; failure probabilities are stated as upper bounds on the outer measure of the failure set, the strong form of "with probability at least 1−δ1 - \delta1−δ"; the comparison with min⁡h′∈HLD(h′)\min_{h' \in H} L_D(h')minh′∈H​LD​(h′) is written without an infimum. Sample-complexity functions are carried explicitly: the book's mHm_HmH​ as the minimal such function is not defined, and "mH≤fm_H \le fmH​≤f" is stated as "the learner satisfies the guarantee with the function fff". Hypotheses and labeling functions are assumed measurable (Remark 3.1). The union bound (Lemma 2.2) is Mathlib's measure_union_le and is not an item. Hypotheses: ϵ>0\epsilon > 0ϵ>0, δ∈(0,1)\delta \in (0,1)δ∈(0,1), HHH finite (and nonempty for the learner to exist).

Trivializing readings are excluded: the milestone's failure event ranges over every ERM hypothesis, and the goal quantifies over all distributions, all realizable labelings and all ϵ,δ\epsilon, \deltaϵ,δ. Welcome contributions: the product-law bound for a fixed hypothesis and the union bound over a finset, which every later mission of the series reuses.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapters 2–4. doi:10.1017/CBO9781107298019
  • L. G. Valiant, A theory of the learnable, Communications of the ACM 27(11), 1984. doi:10.1145/1968.1972
  • V. N. Vapnik, The Nature of Statistical Learning Theory, Springer, 1995. doi:10.1007/978-1-4757-2440-0
  • D. Haussler, Decision theoretic generalizations of the PAC model for neural net and other learning applications, Information and Computation 100(1), 1992. doi:10.1016/0890-5401(92)90010-D
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Understanding Machine Learning II: Learning via Uniform ConvergenceTextbook

Motivation

Mission I of this series set up the statistical learning framework of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019) and proved, in the book's Chapters 2 and 3, that finite classes are PAC learnable under the realizability assumption. Chapter 4 removes that assumption. Its idea is the one that organizes the rest of the theory: if the empirical risks LS(h)L_S(h)LS​(h) of all hypotheses in HHH are simultaneously close to their true risks LD(h)L_D(h)LD​(h), then minimizing LSL_SLS​ over HHH is nearly as good as minimizing LDL_DLD​ over HHH, whatever the distribution DDD is. A sample with that property is called ϵ\epsilonϵ-representative (Definition 4.1), and a class for which representative samples are guaranteed at some sample size is said to have the uniform convergence property (Definition 4.3). Lemma 4.2 turns representativeness into a guarantee for ERM, Corollary 4.4 turns uniform convergence into agnostic PAC learnability, Hoeffding's inequality (Lemma 4.5) gives uniform convergence for a single hypothesis, and a union bound gives it for a finite class: Corollary 4.6, the capstone, says every finite class with a loss in [0,1][0,1][0,1] is agnostic PAC learnable by ERM with sample complexity ⌈2log⁡(2∣H∣/δ)/ϵ2⌉\lceil 2\log(2|H|/\delta)/\epsilon^2 \rceil⌈2log(2∣H∣/δ)/ϵ2⌉.

Setting

The framework is the UnderstandingML_Framework module of Mission I, cited here as a reference. A domain ZZZ is a measurable space, hypotheses form a type with a class HHH, and a loss ℓ:H×Z→R\ell : H \times Z \to \mathbb{R}ℓ:H×Z→R is given. The risk is LD(h)=Ez∼D ℓ(h,z)L_D(h) = \mathbb{E}_{z \sim D}\,\ell(h,z)LD​(h)=Ez∼D​ℓ(h,z), the empirical risk on S=(z1,…,zm)S = (z_1,\dots,z_m)S=(z1​,…,zm​) is LS(h)=1m∑iℓ(h,zi)L_S(h) = \frac1m \sum_i \ell(h, z_i)LS​(h)=m1​∑i​ℓ(h,zi​), and a sample of size mmm has the product law DmD^mDm. A hypothesis is an ERM hypothesis for SSS if it lies in HHH and minimizes LSL_SLS​ over HHH; a learner is a function from samples of each size to hypotheses, and an ERM learner returns an ERM hypothesis on every sample.

SSS is ϵ\epsilonϵ-representative with respect to HHH, ℓ\ellℓ and DDD if ∣LS(h)−LD(h)∣≤ϵ|L_S(h) - L_D(h)| \le \epsilon∣LS​(h)−LD​(h)∣≤ϵ for every h∈Hh \in Hh∈H. HHH has the uniform convergence property with the function mHUCm^{UC}_HmHUC​ if for every ϵ,δ∈(0,1)\epsilon, \delta \in (0,1)ϵ,δ∈(0,1) and every distribution DDD over ZZZ, a sample of m≥mHUC(ϵ,δ)m \ge m^{UC}_H(\epsilon, \delta)m≥mHUC​(ϵ,δ) i.i.d. examples is ϵ\epsilonϵ-representative with probability at least 1−δ1 - \delta1−δ. HHH is agnostic PAC learnable with the function mHm_HmH​ and the learner AAA if AAA returns hypotheses in HHH and, for every ϵ,δ∈(0,1)\epsilon, \delta \in (0,1)ϵ,δ∈(0,1), every DDD and every m≥mH(ϵ,δ)m \ge m_H(\epsilon,\delta)m≥mH​(ϵ,δ), LD(A(S))≤min⁡h′∈HLD(h′)+ϵL_D(A(S)) \le \min_{h' \in H} L_D(h') + \epsilonLD​(A(S))≤minh′∈H​LD​(h′)+ϵ with probability at least 1−δ1 - \delta1−δ over S∼DmS \sim D^mS∼Dm. As in Mission I, "with probability at least 1−δ1-\delta1−δ" is an upper bound δ\deltaδ on the outer measure of the failure event, "min⁡h′∈HLD(h′)+ϵ<LD(h)\min_{h' \in H} L_D(h') + \epsilon < L_D(h)minh′∈H​LD​(h′)+ϵ<LD​(h)" is written as "∃h′∈H\exists h' \in H∃h′∈H, LD(h′)+ϵ<LD(h)L_D(h') + \epsilon < L_D(h)LD​(h′)+ϵ<LD​(h)", and sample-complexity functions are carried explicitly rather than as minimal functions.

Formalization targets

Goal: Corollary 4.6

Let HHH be a finite hypothesis class, ZZZ a domain and ℓ:H×Z→[0,1]\ell : H \times Z \to [0,1]ℓ:H×Z→[0,1] a loss function whose sections ℓ(h,⋅)\ell(h,\cdot)ℓ(h,⋅) are measurable. Then

  1. HHH has the uniform convergence property with the function mHUC(ϵ,δ)=⌈log⁡(2∣H∣/δ)/(2ϵ2)⌉m^{UC}_H(\epsilon,\delta) = \lceil \log(2|H|/\delta)/(2\epsilon^2) \rceilmHUC​(ϵ,δ)=⌈log(2∣H∣/δ)/(2ϵ2)⌉;
  2. every ERM learner for HHH is an agnostic PAC learner with the function mH(ϵ,δ)=⌈2log⁡(2∣H∣/δ)/ϵ2⌉m_H(\epsilon,\delta) = \lceil 2\log(2|H|/\delta)/\epsilon^2 \rceilmH​(ϵ,δ)=⌈2log(2∣H∣/δ)/ϵ2⌉, which is mHUC(ϵ/2,δ)m^{UC}_H(\epsilon/2,\delta)mHUC​(ϵ/2,δ);
  3. if HHH is nonempty, HHH is agnostic PAC learnable.

Milestones

Lemma 4.2. If SSS is ϵ/2\epsilon/2ϵ/2-representative and hSh_ShS​ is an ERM hypothesis for SSS, then LD(hS)≤LD(h)+ϵL_D(h_S) \le L_D(h) + \epsilonLD​(hS​)≤LD​(h)+ϵ for every h∈Hh \in Hh∈H.

Corollary 4.4. If HHH has the uniform convergence property with mHUCm^{UC}_HmHUC​, then every ERM learner for HHH is an agnostic PAC learner with the function (ϵ,δ)↦mHUC(ϵ/2,δ)(\epsilon,\delta) \mapsto m^{UC}_H(\epsilon/2, \delta)(ϵ,δ)↦mHUC​(ϵ/2,δ), and HHH is agnostic PAC learnable as soon as an ERM learner exists.

Lemma 4.5 (Hoeffding's inequality). For a probability measure DDD, a measurable θ\thetaθ with a≤θ≤ba \le \theta \le ba≤θ≤b almost surely and mean μ=∫θ dD\mu = \int \theta\,dDμ=∫θdD, and ϵ>0\epsilon > 0ϵ>0,

Dm[∣1m∑i=1mθ(ωi)−μ∣>ϵ]≤2exp⁡ ⁣(−2mϵ2/(b−a)2).D^m\Big[\Big|\tfrac1m \textstyle\sum_{i=1}^m \theta(\omega_i) - \mu\Big| > \epsilon\Big] \le 2\exp\!\big(-2m\epsilon^2/(b-a)^2\big).Dm[​m1​∑i=1m​θ(ωi​)−μ​>ϵ]≤2exp(−2mϵ2/(b−a)2).

Significance

Chapter 4 is where the book's account of learnability becomes distribution-free in the agnostic sense: nothing is assumed about DDD beyond being a probability distribution, and the guarantee is relative to the best hypothesis in the class. Lemma 4.2 and Corollary 4.4 are the reduction that every later generalization bound in the book (VC dimension, Rademacher complexity, covering numbers, compression) plugs into: prove uniform convergence, get ERM learnability. Corollary 4.6 is the first instance, and its log⁡∣H∣/ϵ2\log|H|/\epsilon^2log∣H∣/ϵ2 dependence, against the log⁡∣H∣/ϵ\log|H|/\epsilonlog∣H∣/ϵ of the realizable case, is the standard illustration of the price of agnosticism. Hoeffding's inequality is stated in the form the book uses everywhere afterward, for the product law of one distribution, with an almost-sure range bound and the mean written as an integral.

Nothing here is machine-checked. Mathlib has no Hoeffding inequality for sums of i.i.d. bounded variables on a product measure in this form, so Lemma 4.5 is a genuine contribution; its proof in the book's Appendix B goes through Hoeffding's lemma on the moment generating function of a bounded centered variable and the Chernoff bounding method, both of which will be needed by the concentration results of later missions.

Difficulty

Lemma 4.2 is three inequalities on real numbers and is the intended entry point. Corollary 4.4 is Lemma 4.2 applied on the complement of the failure event of uniform convergence at ϵ/2\epsilon/2ϵ/2: the failure set of the learner is contained in the failure set of representativeness, and outer measure is monotone. Hoeffding's inequality is the substantial item: one needs the moment generating function bound E eλ(θ−μ)≤eλ2(b−a)2/8\mathbb{E}\,e^{\lambda(\theta-\mu)} \le e^{\lambda^2(b-a)^2/8}Eeλ(θ−μ)≤eλ2(b−a)2/8 (Lemma B.7 of the book, by convexity of the exponential on [a,b][a,b][a,b]), independence of the coordinates under Measure.pi to factor the expectation of the product, Markov's inequality, and the optimization over λ\lambdaλ; the two tails are treated separately and added. The degenerate cases are genuine: for m=0m = 0m=0 the bound is 222 and the claim holds trivially, and for a=ba = ba=b Lean's convention x/0=0x/0 = 0x/0=0 makes the bound 222 again. Corollary 4.6 combines Hoeffding for each h∈Hh \in Hh∈H with a union bound over the finite class and an arithmetic step showing that m≥log⁡(2∣H∣/δ)/(2ϵ2)m \ge \log(2|H|/\delta)/(2\epsilon^2)m≥log(2∣H∣/δ)/(2ϵ2) gives 2∣H∣e−2mϵ2≤δ2|H|e^{-2m\epsilon^2} \le \delta2∣H∣e−2mϵ2≤δ; the empty class makes the uniform convergence clause vacuous. The second and third clauses of the goal then follow from Corollary 4.4, the third by exhibiting an ERM learner, which exists for a nonempty finite class by choosing a minimizer of LSL_SLS​.

Formalization scope

The four items live in the general loss framework, not the binary-classification special case, because the chapter is stated for an arbitrary loss; Mission I's IsRepresentative and HasUniformConvergenceWith already carry the chapter's definitions, so no new definition module is introduced. Losses in Corollary 4.6 are real-valued with the range condition ℓ(h,z)∈[0,1]\ell(h,z) \in [0,1]ℓ(h,z)∈[0,1] for every zzz and measurability of ℓ(h,⋅)\ell(h,\cdot)ℓ(h,⋅) for h∈Hh \in Hh∈H, which is what the book's "ℓ:H×Z→[0,1]\ell : H \times Z \to [0,1]ℓ:H×Z→[0,1]" and Remark 3.1 give. The book's "mH(ϵ,δ)≤⋯m_H(\epsilon,\delta) \le \cdotsmH​(ϵ,δ)≤⋯" is stated as "the guarantee holds with the function ⌈⋯ ⌉\lceil \cdots \rceil⌈⋯⌉", the same convention as Mission I. In Corollary 4.4 the ERM clause is universal over ERM learners, matching "the ERM paradigm is a successful agnostic PAC learner" for every choice of minimizer; the existence of an ERM learner is a separate hypothesis for the learnability clause because a class with no minimizers on some sample has no ERM rule. Hoeffding's inequality is on i.i.d. coordinates of Measure.pi; the book's "E[θi]=μE[\theta_i] = \muE[θi​]=μ" is the definition of μ\muμ rather than an assumption.

Trivializing readings are excluded: the failure events are bounded in outer measure, so measurability of the events is not a loophole; representativeness is required for every h∈Hh \in Hh∈H; the sample-complexity functions are the book's, with ceilings. Welcome contributions: Hoeffding's lemma on bounded centered variables, the factorization of the moment generating function under Measure.pi, and a reusable union bound over a finite class.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 4 and Appendix B. doi:10.1017/CBO9781107298019
  • 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
  • V. N. Vapnik, A. Ya. Chervonenkis, On the uniform convergence of relative frequencies of events to their probabilities, Theory of Probability and its Applications 16(2), 1971. doi:10.1137/1116025
  • S. Boucheron, G. Lugosi, P. Massart, Concentration Inequalities: A Nonasymptotic Theory of Independence, Oxford University Press, 2013, Chapter 2. doi:10.1093/acprof:oso/9780199535255.001.0001
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Understanding Machine Learning III: The No-Free-Lunch TheoremTextbook

Motivation

Missions I and II of this series showed that finite hypothesis classes are learnable, with and without the realizability assumption, by empirical risk minimization. Chapter 5 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019) asks the converse question: is prior knowledge, in the form of a restricted hypothesis class, really necessary? Could there be a universal learner, an algorithm that, given enough examples from any distribution, outputs a predictor of low risk? The No-Free-Lunch theorem (Theorem 5.1) answers no: for binary classification with the 0–1 loss over a domain XXX, for every learning algorithm and every training-set size mmm smaller than ∣X∣/2|X|/2∣X∣/2 there is a distribution on which the learner fails with probability at least 1/71/71/7, even though that distribution is perfectly predictable by some function fff, so that another learner (ERM over {f}\{f\}{f}) succeeds. The consequence for the framework is Corollary 5.2: over an infinite domain, the class of all functions is not PAC learnable. This is the first lower bound of the book and the reason the rest of it is about the complexity of hypothesis classes rather than about universal algorithms.

Setting

The framework is the UnderstandingML_Framework module of Mission I, cited as a reference. Binary classification over a domain XXX uses examples in X×{0,1}X \times \{0,1\}X×{0,1}, hypotheses h:X→{0,1}h : X \to \{0,1\}h:X→{0,1} and the 0–1 loss, so the risk of hhh under a distribution DDD over X×{0,1}X \times \{0,1\}X×{0,1} is LD(h)=D({(x,y):h(x)≠y})L_D(h) = D(\{(x,y) : h(x) \ne y\})LD​(h)=D({(x,y):h(x)=y}), computed as the integral of the 0–1 loss. A learner is a function from samples of each size to hypotheses, and a sample of size mmm has the law DmD^mDm. PAC learnability of a class HHH (Definition 3.1) requires a sample-complexity function mHm_HmH​ and a learner AAA such that for every ϵ,δ∈(0,1)\epsilon, \delta \in (0,1)ϵ,δ∈(0,1), every distribution DDD over XXX and every measurable labeling function fff realizable by HHH, samples of size m≥mH(ϵ,δ)m \ge m_H(\epsilon,\delta)m≥mH​(ϵ,δ) yield L(D,f)(A(S))≤ϵL_{(D,f)}(A(S)) \le \epsilonL(D,f)​(A(S))≤ϵ with probability at least 1−δ1-\delta1−δ.

Two conventions specific to this mission. The domain XXX is assumed to have measurable singletons (the book's Remark 3.1 assumes away measurability issues); this makes the finitely supported distributions of the proof honest probability measures and makes every LD(h)L_D(h)LD​(h) under them a genuine integral. And "mmm smaller than ∣X∣/2|X|/2∣X∣/2" is written 2m<∣X∣2m < |X|2m<∣X∣ in the extended natural numbers, so that an infinite domain satisfies it for every mmm.

Formalization targets

Goal: Theorem 5.1 (No-Free-Lunch)

Let AAA be any learning algorithm for binary classification with respect to the 0–1 loss over a domain XXX with measurable singletons, and let mmm be a training-set size with 2m<∣X∣2m < |X|2m<∣X∣. Then there exists a probability distribution DDD over X×{0,1}X \times \{0,1\}X×{0,1} such that

  1. there is a measurable f:X→{0,1}f : X \to \{0,1\}f:X→{0,1} with LD(f)=0L_D(f) = 0LD​(f)=0;
  2. there is a measurable set EEE of samples of size mmm with Dm(E)≥1/7D^m(E) \ge 1/7Dm(E)≥1/7 on which LD(A(S))≥1/8L_D(A(S)) \ge 1/8LD​(A(S))≥1/8.

Milestones

Lemma B.1 (Appendix B). If ZZZ takes values in [0,1][0,1][0,1] and E[Z]=μE[Z] = \muE[Z]=μ, then for every a∈(0,1)a \in (0,1)a∈(0,1), P[Z>1−a]≥(μ−(1−a))/aP[Z > 1-a] \ge (\mu - (1-a))/aP[Z>1−a]≥(μ−(1−a))/a, and consequently P[Z>a]≥(μ−a)/(1−a)≥μ−aP[Z > a] \ge (\mu - a)/(1-a) \ge \mu - aP[Z>a]≥(μ−a)/(1−a)≥μ−a.

Equation (5.2). Under the hypotheses of Theorem 5.1 there are DDD and a measurable fff with LD(f)=0L_D(f) = 0LD​(f)=0 and ES∼Dm[LD(A(S))]≥1/4\mathbb{E}_{S \sim D^m}[L_D(A(S))] \ge 1/4ES∼Dm​[LD​(A(S))]≥1/4.

Corollary 5.2. For an infinite domain XXX with measurable singletons, the class of all functions X→{0,1}X \to \{0,1\}X→{0,1} is not PAC learnable.

Two further items: Exercise 5.1, the passage from an expectation of at least 1/41/41/4 to a probability of at least 1/71/71/7 of exceeding 1/81/81/8 for a [0,1][0,1][0,1]-valued variable; and Exercise 5.3, the kkk-fold version of Equation (5.2), with bound 1/2−1/(2k)1/2 - 1/(2k)1/2−1/(2k) when km≤∣X∣km \le |X|km≤∣X∣, k≥2k \ge 2k≥2 and XXX is nonempty.

Significance

The No-Free-Lunch theorem is the book's first impossibility result and the conceptual pivot of Part I: it shows that learnability is a property of the pair (hypothesis class, learner) and not of the learner alone, and it motivates the bias–complexity tradeoff of §5.2 and the VC-dimension of Chapter 6, whose lower bound (Theorem 6.7, the "only if" direction of the fundamental theorem) is proved by the same symmetrization argument. Corollary 5.2 is the statement that the class of all functions has infinite sample complexity, the negative half of the characterization of learnable classes.

Nothing here is machine-checked. The proof is combinatorial and elementary but has real content for a formalization: a finite subset CCC of the domain, the 22m2^{2m}22m labelings of CCC, the uniform distribution on CCC labeled by each of them, an exchange of a maximum, an average and a minimum over labelings and sample sequences, and a pairing argument on labelings that differ at exactly one unseen point. Lemma B.1 is a reverse Markov inequality for bounded variables that later chapters also use.

Difficulty

Lemma B.1 is Markov's inequality applied to 1−Z1 - Z1−Z and is the entry point; Exercise 5.1 is its instance with a=1/8a = 1/8a=1/8 and μ≥1/4\mu \ge 1/4μ≥1/4, giving (1/4−1/8)/(7/8)=1/7(1/4 - 1/8)/(7/8) = 1/7(1/4−1/8)/(7/8)=1/7, together with the inclusion of {θ>1/8}\{\theta > 1/8\}{θ>1/8} in {θ≥1/8}\{\theta \ge 1/8\}{θ≥1/8}. Theorem 5.1 follows from Equation (5.2) and Exercise 5.1 once one knows that S↦LD(A(S))S \mapsto L_D(A(S))S↦LD​(A(S)) is, under the finitely supported DmD^mDm, almost everywhere equal to a measurable function with values in [0,1][0,1][0,1]; the set EEE is the intersection of the event with the finite support of DmD^mDm, which is measurable because singletons are. Equation (5.2) is the heart of the mission. One picks C⊆XC \subseteq XC⊆X of size 2m2m2m (available because 2m<∣X∣2m < |X|2m<∣X∣), lets DiD_iDi​ be uniform on CCC labeled by the iii-th function fi:C→{0,1}f_i : C \to \{0,1\}fi​:C→{0,1} extended by 000 off CCC, and computes ES∼Dim[LDi(A(S))]\mathbb{E}_{S \sim D_i^m}[L_{D_i}(A(S))]ES∼Dim​​[LDi​​(A(S))] as an average over the (2m)m(2m)^m(2m)m sequences of instances, which requires identifying DimD_i^mDim​ as a finitely supported measure on sequences, that is, the product of finitely supported measures. The inequalities (5.4)–(5.6) exchange max, average and min and restrict to the unseen points, and the pairing argument shows that for each unseen point the average over iii of the indicator that AAA errs on it is exactly 1/21/21/2. Exercise 5.3 is the same argument with ∣C∣=km|C| = km∣C∣=km, where at least (k−1)m(k-1)m(k−1)m points are unseen. Corollary 5.2 takes ϵ<1/8\epsilon < 1/8ϵ<1/8, δ<1/7\delta < 1/7δ<1/7, m=mH(ϵ,δ)m = m_H(\epsilon,\delta)m=mH​(ϵ,δ) and a set CCC of size 2m2m2m in the infinite domain, and derives the contradiction from Theorem 5.1 via the identification of LDL_DLD​ for DDD uniform on CCC labeled by fff with the true error L(DX,f)L_{(D_X, f)}L(DX​,f)​ of Definition 3.1, where DXD_XDX​ is uniform on CCC; the case m=0m = 0m=0 is handled separately with a single point.

Formalization scope

The items are stated in the joint-distribution form of the book's Chapter 5, with DDD over X×{0,1}X \times \{0,1\}X×{0,1} and LDL_DLD​ the risk under the 0–1 loss, rather than in the (D,f)(D, f)(D,f) form of Definition 3.1; Corollary 5.2 is the bridge and is stated with the framework's PACLearnable. Witness labeling functions are required to be measurable, because a non-measurable fff would make LD(f)=0L_D(f) = 0LD​(f)=0 true by Lean's convention for non-integrable functions rather than by content. Clause (2) of Theorem 5.1 is stated in the inner form (a measurable set of probability at least 1/71/71/7 inside the event) rather than as a lower bound on the outer measure of the event, which for a non-measurable event would be the weaker statement. The size condition uses ENat.card, so infinite domains satisfy it. Learners are deterministic functions of the sample; the book's argument goes through for randomized learners by averaging, but the framework does not model them.

Trivializing readings are excluded: the distribution must be a probability measure, the failing set must be measurable with an honest lower bound, and the witness fff must be measurable. Welcome contributions: the finitely supported product law on sequences, the averaging identity (5.3), and the pairing argument on labelings of CCC.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 5 and Appendix B. doi:10.1017/CBO9781107298019
  • D. H. Wolpert, W. G. Macready, No free lunch theorems for optimization, IEEE Transactions on Evolutionary Computation 1(1), 1997. doi:10.1109/4235.585893
  • A. Ehrenfeucht, D. Haussler, M. Kearns, L. Valiant, A general lower bound on the number of examples needed for learning, Information and Computation 82(3), 1989. doi:10.1016/0890-5401(89)90002-3
  • V. N. Vapnik, Statistical Learning Theory, Wiley, 1998.
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Understanding Machine Learning V: Nonuniform Learnability, Structural Risk Minimization and Minimum Description LengthTextbook

Motivation

The fundamental theorem of Mission IV says that a class of binary classifiers is PAC learnable exactly when its VC-dimension is finite. That leaves out classes one would like to learn, such as all polynomial classifiers over the line, whose VC-dimension is infinite although each degree separately is learnable. Chapter 7 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019) relaxes the definition. In nonuniform learnability (Definition 7.1) the sample size may depend on the hypothesis the learner is competing with: the learner must, for every h∈Hh \in Hh∈H, eventually do as well as hhh up to ϵ\epsilonϵ, but how soon may depend on hhh. The chapter's main result (Theorem 7.2) characterizes the nonuniformly learnable classes of binary classifiers as the countable unions of agnostic PAC learnable classes. The learning rule behind it is Structural Risk Minimization (SRM): write H=⋃nHnH = \bigcup_n H_nH=⋃n​Hn​, weight the pieces, and minimize the empirical risk plus a confidence term that grows with the index (Theorems 7.3–7.5). Applied to a countable class described by a prefix-free code, SRM becomes the Minimum Description Length rule and yields a quantitative form of Occam's razor (Lemma 7.6, Theorem 7.7). The chapter closes the circle with a No-Free-Lunch result for the relaxed notion (Remark 7.2, Exercise 7.5).

Setting

The framework is that of Missions I, II and IV: examples in a domain ZZZ, a hypothesis type with a class HHH, a loss ℓ\ellℓ, risk LDL_DLD​ and empirical risk LSL_SLS​, learners as functions of the sample, the uniform convergence property with an explicit rate mHUCm^{UC}_HmHUC​, agnostic PAC learnability, and for binary classification the 0–1 loss, the VC-dimension and pointwise separability. The new module adds Definition 7.1 with an explicit rate mNULm^{NUL}mNUL and, as in Definition 3.4, learners whose outputs lie in HHH; the same notion for a family of learners indexed by the confidence δ\deltaδ, since the SRM and MDL rules take δ\deltaδ as an input; the rate ϵn(m,δ)=inf⁡{ϵ∈(0,1):mHnUC(ϵ,δ)≤m}\epsilon_n(m,\delta) = \inf\{\epsilon \in (0,1) : m^{UC}_{H_n}(\epsilon,\delta) \le m\}ϵn​(m,δ)=inf{ϵ∈(0,1):mHn​UC​(ϵ,δ)≤m} of Equation (7.1), which is meaningful only when that set is nonempty; the index n(h)=min⁡{n:h∈Hn}n(h) = \min\{n : h \in H_n\}n(h)=min{n:h∈Hn​} of Equation (7.4); the SRM rule as a minimizer of LS(h)+ϵn(h)(m,w(n(h))δ)L_S(h) + \epsilon_{n(h)}(m, w(n(h))\delta)LS​(h)+ϵn(h)​(m,w(n(h))δ) over the admissible hypotheses, those whose index has positive weight and a defined rate; prefix-free description languages d:H→{0,1}∗d : H \to \{0,1\}^*d:H→{0,1}∗ and the MDL rule; and shattering of an infinite set.

Formalization targets

Goal: Theorem 7.2

For a class HHH of measurable binary classifiers over a domain with measurable singletons, every subclass of which is pointwise separable, HHH is nonuniformly learnable if and only if there are classes HnH_nHn​ with ⋃nHn=H\bigcup_n H_n = H⋃n​Hn​=H, each agnostic PAC learnable.

Milestones

Theorem 7.3. If H=⋃nHnH = \bigcup_n H_nH=⋃n​Hn​ is nonempty and each HnH_nHn​ has the uniform convergence property, then HHH is nonuniformly learnable (general loss).

Theorem 7.4. For weights w(n)∈[0,1]w(n) \in [0,1]w(n)∈[0,1] with partial sums at most 111, uniformly convergent pieces HnH_nHn​ with rates mHnUCm^{UC}_{H_n}mHn​UC​, δ∈(0,1)\delta \in (0,1)δ∈(0,1), any DDD and any mmm: with probability at least 1−δ1-\delta1−δ, for every nnn with w(n)>0w(n) > 0w(n)>0 at which ϵn(m,w(n)δ)\epsilon_n(m, w(n)\delta)ϵn​(m,w(n)δ) is defined and every h∈Hnh \in H_nh∈Hn​, ∣LD(h)−LS(h)∣≤ϵn(m,w(n)δ)|L_D(h) - L_S(h)| \le \epsilon_n(m, w(n)\delta)∣LD​(h)−LS​(h)∣≤ϵn​(m,w(n)δ).

Theorem 7.5. With w(n)=6/(π2n2)w(n) = 6/(\pi^2 n^2)w(n)=6/(π2n2) and H0=∅H_0 = \emptysetH0​=∅, every family of learners implementing the SRM rule satisfies the nonuniform guarantee with rate mNUL(ϵ,δ,h)=mHn(h)UC(ϵ/2, 6δ/(πn(h))2)m^{NUL}(\epsilon,\delta,h) = m^{UC}_{H_{n(h)}}(\epsilon/2,\ 6\delta/(\pi n(h))^2)mNUL(ϵ,δ,h)=mHn(h)​UC​(ϵ/2, 6δ/(πn(h))2).

Lemma 7.6 (Kraft). For a prefix-free set SSS of binary strings, every finite subfamily satisfies ∑σ2−∣σ∣≤1\sum_{\sigma} 2^{-|\sigma|} \le 1∑σ​2−∣σ∣≤1.

Theorem 7.7. For a prefix-free description language on a class with a [0,1][0,1][0,1]-valued loss, m≥1m \ge 1m≥1 and δ>0\delta > 0δ>0: with probability at least 1−δ1-\delta1−δ, every h∈Hh \in Hh∈H satisfies LD(h)≤LS(h)+(∣h∣+ln⁡(2/δ))/(2m)L_D(h) \le L_S(h) + \sqrt{(|h| + \ln(2/\delta))/(2m)}LD​(h)≤LS​(h)+(∣h∣+ln(2/δ))/(2m)​.

Further items: nonuniform learnability is implied by agnostic PAC learnability (§7.1); a nonuniformly learnable class of binary classifiers is a countable union of classes of finite VC-dimension (Exercise 7.5 (1)–(2)); a class shattering an infinite set admits no countable cover by classes of finite VC-dimension (Exercise 7.5 (3)) and is not nonuniformly learnable; over an infinite domain the class of all measurable classifiers is not nonuniformly learnable (Remark 7.2).

Significance

Theorem 7.2 is the second characterization theorem of the book's Part I and the one that explains why model selection works: any class that can be stratified into learnable pieces is learnable in the nonuniform sense, with the price of not knowing the index paid in sample size rather than in principle. SRM is the abstract form of every penalized learning rule, and the MDL bound of Theorem 7.7 is the cleanest instance, a bound in which the only property of the hypothesis that matters is the length of its description. Remark 7.2 shows the relaxation is not free: even nonuniformly, no learner handles all classifiers over an infinite domain.

Nothing here is machine-checked. The chapter's arguments are short but they combine everything before them: Hoeffding, the union bound with weights, the VC lower bound of Corollary 6.4 and the fundamental theorem. Three places where the book's statements need care are recorded in the formalization: the rate ϵn\epsilon_nϵn​ is an infimum that may be undefined for small mmm; the SRM rule takes δ\deltaδ as an input and so is a family of learners; and the fundamental theorem's uniform-convergence direction needs a measurability condition, which appears in Theorem 7.2 as hereditary pointwise separability.

Difficulty

The relaxation remark is a direct comparison of two definitions. Kraft's inequality is the coin-tossing argument of the book or an induction on the maximal length: it is the intended entry point. Theorem 7.4 is Theorem 7.3's engine: for each index and each ϵ\epsilonϵ in the set of Equation (7.1), the uniform convergence property bounds the failure by w(n)δw(n)\deltaw(n)δ; the passage from "every ϵ\epsilonϵ in the set" to the infimum uses continuity of the outer measure along an increasing union; the union over nnn uses countable subadditivity and the partial-sum condition. Theorem 7.5 is Theorem 7.4 on the good event together with the two inequalities of the book's proof, using that the target is admissible when m≥mHn(h)UC(ϵ/2,w(n(h))δ)m \ge m^{UC}_{H_{n(h)}}(\epsilon/2, w(n(h))\delta)m≥mHn(h)​UC​(ϵ/2,w(n(h))δ) and that admissibility of the SRM output gives the bound for it. Theorem 7.3 asks for a single learner: SRM with a confidence schedule δm→0\delta_m \to 0δm​→0 chosen so that, for each fixed index, the rate at level δm\delta_mδm​ eventually falls below any ϵ\epsilonϵ, together with an approximate minimizer within 1/m1/m1/m; the target hypothesis is admissible for mmm large. Theorem 7.7 is Theorem 7.4 with singleton pieces and the weights 2−∣h∣2^{-|h|}2−∣h∣, a one-sided Hoeffding bound for each hhh, and Kraft's inequality. Exercise 7.5 (3) is the combinatorial construction of the book's hint, disjoint finite subsets KnK_nKn​ of the shattered set with ∣Kn∣>VCdim(Hn)|K_n| > \mathrm{VCdim}(H_n)∣Kn​∣>VCdim(Hn​) and a labeling that no HnH_nHn​ realizes. The first half of Theorem 7.2 is Corollary 6.4 applied to the nonuniform learner at fixed ϵ0,δ0\epsilon_0, \delta_0ϵ0​,δ0​, with constants chosen so that the two probability bounds actually contradict; the second half is the fundamental theorem on each piece followed by Theorem 7.3.

Formalization scope

Learners output hypotheses in HHH, in Definition 7.1 as in Definition 3.4. The rate ϵn\epsilon_nϵn​ is an infimum over the set of Equation (7.1), and every statement that uses it is guarded by the nonemptiness of that set; the weight w(n)w(n)w(n) may be 000, and H0=∅H_0 = \emptysetH0​=∅ encodes the book's indices 1,2,…1, 2, \dots1,2,…. The SRM rule minimizes over admissible hypotheses, and an SRM family is one that returns an admissible minimizer whenever some hypothesis is admissible, which is the book's assumption that the argmin is attained (automatic for the 0–1 loss). Theorem 7.4's sum condition is on partial sums, and Kraft's inequality is on finite subfamilies, so no divergent series is silently zero. Theorem 7.7 assumes a [0,1][0,1][0,1]-valued loss and m≥1m \ge 1m≥1. The binary-classification results assume measurable singletons and measurable hypotheses; Theorem 7.2 also assumes every subclass pointwise separable, which every class over a countable domain satisfies. Definition 7.8 (consistency) and the Memorize algorithm of §7.4 are not stated.

Trivializing readings are excluded: outputs in HHH keep the risk an honest integral, the rate is never a junk infimum of the empty set, and the failure events are bounded in outer measure. Welcome contributions: a reusable weighted union bound over a countable family of uniform-convergence events, the continuity argument for the infimum rate, and the shattered-set combinatorics of Exercise 7.5.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 7. doi:10.1017/CBO9781107298019
  • V. N. Vapnik, The Nature of Statistical Learning Theory, Springer, 1995. doi:10.1007/978-1-4757-2440-0
  • J. Rissanen, Modeling by shortest data description, Automatica 14(5), 1978. doi:10.1016/0005-1098(78)90005-5
  • A. Blumer, A. Ehrenfeucht, D. Haussler, M. K. Warmuth, Occam's razor, Information Processing Letters 24(6), 1987. doi:10.1016/0020-0190(87)90114-1
  • L. G. Kraft, A device for quantizing, grouping, and coding amplitude modulated pulses, MSc thesis, MIT, 1949.
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Understanding Machine Learning VI: Linear Predictors, the Perceptron and Least SquaresTextbook

Motivation

Part II of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019) turns from the theory of learnability to hypothesis classes that can actually be learned by algorithms, and it starts with the family that almost every practical method is built on: linear predictors. Chapter 9 introduces the affine functions LdL_dLd​ and the three classes obtained by composing them with a link: halfspaces for classification, linear regression for real-valued prediction, and logistic regression in between. For each class it gives an ERM algorithm and the guarantee that goes with it. For halfspaces in the separable case the algorithm is Rosenblatt's Perceptron, and the guarantee is the classical mistake bound (Theorem 9.1): the number of updates is at most (RB)2(RB)^2(RB)2, where RRR bounds the data and BBB is the norm of the smallest vector separating it with margin one. The chapter then computes the VC-dimension of halfspaces (Theorems 9.2 and 9.3), which by the fundamental theorem of Mission IV makes them learnable, derives the Least Squares normal equations for regression, and observes that the logistic loss is convex, the property later chapters exploit.

Setting

Vectors live in Rd\mathbb{R}^dRd with its Euclidean inner product and norm. The affine functions are hw,b(x)=⟨w,x⟩+bh_{w,b}(x) = \langle w, x\rangle + bhw,b​(x)=⟨w,x⟩+b, homogenous when b=0b = 0b=0; a halfspace hypothesis is x↦sign⁡(⟨w,x⟩+b)x \mapsto \operatorname{sign}(\langle w, x\rangle + b)x↦sign(⟨w,x⟩+b), formalized as a Boolean predictor that is true exactly when ⟨w,x⟩+b>0\langle w, x\rangle + b > 0⟨w,x⟩+b>0 (the book leaves sign⁡(0)\operatorname{sign}(0)sign(0) unspecified; the VC computations do not depend on the convention). A sample (x1,y1),…,(xm,ym)(x_1, y_1), \dots, (x_m, y_m)(x1​,y1​),…,(xm​,ym​) with labels yi∈{±1}y_i \in \{\pm 1\}yi​∈{±1} is separable if some www has yi⟨w,xi⟩>0y_i\langle w, x_i\rangle > 0yi​⟨w,xi​⟩>0 for all iii; the constants of Theorem 9.1 are B=inf⁡{∥w∥:∀i, yi⟨w,xi⟩≥1}B = \inf\{\|w\| : \forall i,\ y_i\langle w, x_i\rangle \ge 1\}B=inf{∥w∥:∀i, yi​⟨w,xi​⟩≥1} and R=max⁡i∥xi∥R = \max_i \|x_i\|R=maxi​∥xi​∥. The Batch Perceptron starts at w(0)=0w^{(0)} = 0w(0)=0 and, while some example has yi⟨w(t),xi⟩≤0y_i\langle w^{(t)}, x_i\rangle \le 0yi​⟨w(t),xi​⟩≤0, adds yixiy_i x_iyi​xi​; since the algorithm may pick any mistaken example, a run is any sequence of updates obeying this rule, and the theorem is stated for all runs. For regression the loss is (h(x)−y)2(h(x) - y)^2(h(x)−y)2 and the Least Squares system is Aw=bAw = bAw=b with A=∑ixixi⊤A = \sum_i x_i x_i^\topA=∑i​xi​xi⊤​, written as the linear map w↦∑i⟨xi,w⟩xiw \mapsto \sum_i \langle x_i, w\rangle x_iw↦∑i​⟨xi​,w⟩xi​, and b=∑iyixib = \sum_i y_i x_ib=∑i​yi​xi​. The logistic function is φsig(z)=1/(1+e−z)\varphi_{sig}(z) = 1/(1 + e^{-z})φsig​(z)=1/(1+e−z) and the logistic loss is log⁡(1+exp⁡(−y⟨w,x⟩))\log(1 + \exp(-y\langle w, x\rangle))log(1+exp(−y⟨w,x⟩)). The learning-theoretic notions (ERM, PAC and agnostic PAC learnability, VC-dimension) are those of Missions I and IV.

Formalization targets

Goal: Theorem 9.1 (Perceptron convergence)

For a separable sample with labels in {±1}\{\pm 1\}{±1}, every run of the Batch Perceptron of TTT iterations satisfies T≤(RB)2T \le (RB)^2T≤(RB)2, and some run of at most (RB)2(RB)^2(RB)2 iterations ends with yi⟨w(T),xi⟩>0y_i\langle w^{(T)}, x_i\rangle > 0yi​⟨w(T),xi​⟩>0 for every iii.

Milestones

Equation (9.1). A sample is separable if and only if some www satisfies yi⟨w,xi⟩≥1y_i\langle w, x_i\rangle \ge 1yi​⟨w,xi​⟩≥1 for all iii.

Theorem 9.2. The VC-dimension of the homogenous halfspaces in Rd\mathbb{R}^dRd is ddd.

Theorem 9.3. The VC-dimension of the halfspaces in Rd\mathbb{R}^dRd is d+1d+1d+1.

Least Squares (9.6). The system Aw=bAw = bAw=b always has a solution, and www solves it if and only if hwh_whw​ is an ERM hypothesis for the squared loss over the homogenous linear predictors.

Further items: Exercise 9.3, the tightness of Theorem 9.1 (for every mmm a sample with R≤1R \le 1R≤1, (BR)2≤m(BR)^2 \le m(BR)2≤m and a run of exactly mmm updates); the learnability of halfspaces by ERM, a consequence of Theorem 9.3 and the fundamental theorem; Exercise 9.2, AAA is invertible iff the xix_ixi​ span Rd\mathbb{R}^dRd; and the convexity of the logistic loss in www.

Significance

The Perceptron bound is one of the oldest results of learning theory (Novikoff 1962) and the model for every mistake bound in the online-learning chapters: it is independent of the dimension and of the number of examples, depending only on the geometry of the data through RRR and BBB. Theorems 9.2 and 9.3 are the first VC-dimension computations of a class used in practice and give, through Theorem 6.8, the sample complexity Θ((d+log⁡(1/δ))/ϵ)\Theta((d + \log(1/\delta))/\epsilon)Θ((d+log(1/δ))/ϵ) of learning halfspaces. The normal equations are the algorithmic content of linear regression, and the convexity of the logistic loss is why logistic regression is tractable in the nonseparable case, where ERM for halfspaces with the 0–1 loss is hard.

Nothing here is machine-checked in this form. Mathlib has the inner-product geometry, the Cauchy–Schwarz inequality, linear algebra of finite-dimensional spaces and convexity of compositions, but neither the Perceptron nor the VC-dimension of halfspaces.

Difficulty

Equation (9.1) is a rescaling and the intended entry point. The convexity of the logistic loss is the composition of the convex function log⁡(1+e−t)\log(1 + e^{-t})log(1+e−t) with the linear map w↦y⟨w,x⟩w \mapsto y\langle w, x\ranglew↦y⟨w,x⟩. Exercise 9.2 is the identification of the kernel of ∑i⟨xi,⋅⟩xi\sum_i \langle x_i, \cdot\rangle x_i∑i​⟨xi​,⋅⟩xi​ with the orthogonal complement of the span. The normal equations require showing that a convex quadratic is minimized exactly where its gradient vanishes, and that bbb lies in the range of AAA, which is the span of the xix_ixi​. Theorem 9.1 is the book's proof: by induction on the run, ⟨w∗,w(T)⟩≥T\langle w^*, w^{(T)}\rangle \ge T⟨w∗,w(T)⟩≥T and ∥w(T)∥2≤TR2\|w^{(T)}\|^2 \le TR^2∥w(T)∥2≤TR2 for any feasible w∗w^*w∗, then Cauchy–Schwarz, and finally the passage from a feasible w∗w^*w∗ to the infimum BBB; the existence clause follows because a run can be extended as long as the stopping condition fails and all runs are bounded. Theorem 9.2 is the linear-dependence argument of the book, with a case analysis on the signs of the coefficients and on which side is nonempty, and the shattering of the standard basis; Theorem 9.3 lifts it to Rd+1\mathbb{R}^{d+1}Rd+1 by appending a constant coordinate. The learnability of halfspaces is Theorem 6.7 applied to a class that must be shown measurable, nonempty, of finite VC-dimension and pointwise separable; the last needs rational approximations (wn,bn)(w_n, b_n)(wn​,bn​) in which the offset moves below bbb more slowly than wnw_nwn​ approaches www, so that boundary points keep their label.

Formalization scope

Halfspaces are Boolean predictors with sign⁡(0)\operatorname{sign}(0)sign(0) negative; the classes are sets of functions, so the VC-dimension is that of Mission IV. The Perceptron is a relation on sequences, not a program: this captures the algorithm's freedom to choose any mistaken example and makes the bound apply to all implementations. BBB is an infimum, which is attained (the feasible set is closed and the norm is coercive), but the theorem does not need attainment. RRR is a real supremum over the finite index set, equal to 000 for the empty sample, where every run has length 000. The Least Squares statement is about the homogenous class and the sample i↦(xi,yi)i \mapsto (x_i, y_i)i↦(xi​,yi​), with ERM in the sense of Mission I; the bias term is handled by the book's reduction, appending a constant coordinate, and is not formalized separately. The learnability item states qualitative learnability and the ERM guarantee with an unspecified sample-complexity function; the quantitative rate is Theorem 6.8 of Mission IV. Linear programming (§9.1.1), the pseudo-inverse (§9.2.1), polynomial regression (§9.2.2), Exercises 9.1 and 9.4–9.6 are not stated.

Trivializing readings are excluded: labels are constrained to ±1\pm 1±1, runs must start at 000 and update only on mistakes, the VC equalities are in N∪{∞}\mathbb{N} \cup \{\infty\}N∪{∞}, and the ERM equivalence is a biconditional. Welcome contributions: the two Perceptron invariants as separate lemmas, the shattering of the standard basis, and the pointwise separability of halfspaces.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 9. doi:10.1017/CBO9781107298019
  • F. Rosenblatt, The perceptron: a probabilistic model for information storage and organization in the brain, Psychological Review 65(6), 1958. doi:10.1037/h0042519
  • A. B. J. Novikoff, On convergence proofs on perceptrons, Proceedings of the Symposium on the Mathematical Theory of Automata 12, 1962.
  • S. Agmon, The relaxation method for linear inequalities, Canadian Journal of Mathematics 6, 1954. doi:10.4153/CJM-1954-037-2
  • S. Ben-David, H. U. Simon, Efficient learning of linear perceptrons, Advances in Neural Information Processing Systems 13, 2001.
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Understanding Machine Learning VII: Boosting and AdaBoostTextbook

Motivation

Boosting answers a question raised by Kearns and Valiant: can a learner that is only slightly better than random guessing be turned into one that is arbitrarily accurate? Chapter 10 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019) defines γ-weak learnability (Definition 10.1), the PAC requirement with the accuracy ϵ\epsilonϵ replaced by the fixed value 1/2−γ1/2 - \gamma1/2−γ, and presents AdaBoost, the algorithm of Freund and Schapire that, given weak hypotheses, reweights the training set round by round and outputs a weighted majority vote. The chapter's main result (Theorem 10.2) is that the training error of AdaBoost's output decreases as e−2γ2Te^{-2\gamma^2 T}e−2γ2T in the number of rounds. Since the output is a halfspace over the predictions of TTT base hypotheses, the chapter then bounds the VC-dimension of that class (Lemma 10.3), so that the number of rounds becomes a knob for the bias–complexity tradeoff. Example 10.1 shows a concrete weak learner, ERM over decision stumps for the class of 3-piece classifiers on the line, and the chapter remarks that, statistically, weak learnability is no easier than strong learnability: a class of infinite VC-dimension is not weakly learnable either.

Setting

The framework is that of Missions I and IV: binary classification over a domain XXX with the 0–1 loss, distributions DDD over XXX with a labeling function fff, learners as functions of the sample, the VC-dimension, and ERM. Labels and hypotheses are Boolean, with ±1\pm 1±1 values obtained through sgn⁡(true)=1\operatorname{sgn}(\text{true}) = 1sgn(true)=1, sgn⁡(false)=−1\operatorname{sgn}(\text{false}) = -1sgn(false)=−1, and sign⁡(z)\operatorname{sign}(z)sign(z) is true exactly when z>0z > 0z>0. A γ-weak learner for HHH with the function mH:(0,1)→Nm_H : (0,1) \to \mathbb{N}mH​:(0,1)→N returns, for every δ\deltaδ, every DDD and every measurable fff realizable by HHH, a hypothesis with L(D,f)(h)≤1/2−γL_{(D,f)}(h) \le 1/2 - \gammaL(D,f)​(h)≤1/2−γ with probability at least 1−δ1 - \delta1−δ once m≥mH(δ)m \ge m_H(\delta)m≥mH​(δ); the failure event is bounded in outer measure as in Definition 3.1.

AdaBoost is formalized as a deterministic function of the sample S=(x1,y1),…,(xm,ym)S = (x_1, y_1), \dots, (x_m, y_m)S=(x1​,y1​),…,(xm​,ym​) and of the sequence of weak hypotheses h0,h1,…h_0, h_1, \dotsh0​,h1​,… that the weak learner returned. The distributions are defined by recursion: D(0)D^{(0)}D(0) is uniform, ϵt=∑iDi(t)1[ht(xi)≠yi]\epsilon_t = \sum_i D^{(t)}_i \mathbb{1}[h_t(x_i) \ne y_i]ϵt​=∑i​Di(t)​1[ht​(xi​)=yi​], wt=12log⁡(1/ϵt−1)w_t = \frac12 \log(1/\epsilon_t - 1)wt​=21​log(1/ϵt​−1), and Di(t+1)∝Di(t)exp⁡(−wtyiht(xi))D^{(t+1)}_i \propto D^{(t)}_i \exp(-w_t y_i h_t(x_i))Di(t+1)​∝Di(t)​exp(−wt​yi​ht​(xi​)); the output after TTT rounds is x↦sign⁡(∑t<Twtht(x))x \mapsto \operatorname{sign}(\sum_{t < T} w_t h_t(x))x↦sign(∑t<T​wt​ht​(x)). Rounds are indexed from 000, so D(0)D^{(0)}D(0) is the book's D(1)D^{(1)}D(1). The class L(B,T)L(B, T)L(B,T) of Equation (10.4) consists of the functions x↦sign⁡(∑t=1Twtht(x))x \mapsto \operatorname{sign}(\sum_{t=1}^T w_t h_t(x))x↦sign(∑t=1T​wt​ht​(x)) with ht∈Bh_t \in Bht​∈B. Decision stumps over R\mathbb{R}R are the threshold functions x↦[θ<x]x \mapsto [\theta < x]x↦[θ<x] and their negations x↦[x≤θ]x \mapsto [x \le \theta]x↦[x≤θ]; a 3-piece classifier is bbb outside [θ1,θ2][\theta_1, \theta_2][θ1​,θ2​] and −b-b−b inside, with θ1<θ2\theta_1 < \theta_2θ1​<θ2​.

Formalization targets

Goal: Theorem 10.2

If γ>0\gamma > 0γ>0 and every round t<Tt < Tt<T has 0<ϵt≤1/2−γ0 < \epsilon_t \le 1/2 - \gamma0<ϵt​≤1/2−γ, then the empirical 0–1 risk of AdaBoost's output after TTT rounds is at most exp⁡(−2γ2T)\exp(-2\gamma^2 T)exp(−2γ2T).

Milestones

§10.1. A class of infinite VC-dimension is not γ-weak-learnable for any γ>0\gamma > 0γ>0 (domain with measurable singletons, measurable hypotheses).

Example 10.1. There is one sample-size function with which every ERM learner over the decision stumps is a 1/121/121/12-weak learner for the 3-piece classifiers.

Exercise 10.3. For a nonempty sample and ϵt∈(0,1)\epsilon_t \in (0,1)ϵt​∈(0,1), the error of hth_tht​ under D(t+1)D^{(t+1)}D(t+1) is exactly 1/21/21/2.

Lemma 10.3. If T≥3T \ge 3T≥3 and VCdim(B)=d≥3\mathrm{VCdim}(B) = d \ge 3VCdim(B)=d≥3, then VCdim(L(B,T))≤T(d+1)(3log⁡(T(d+1))+2)\mathrm{VCdim}(L(B,T)) \le T(d+1)(3\log(T(d+1)) + 2)VCdim(L(B,T))≤T(d+1)(3log(T(d+1))+2).

Further item: Exercise 10.4 (1), VCdim(B)≤VCdim(L(B,T))\mathrm{VCdim}(B) \le \mathrm{VCdim}(L(B,T))VCdim(B)≤VCdim(L(B,T)) for T≥1T \ge 1T≥1.

Significance

Theorem 10.2 is the reason AdaBoost works and the template for every analysis of boosting: a potential function, here 1m∑ie−yift(xi)\frac1m \sum_i e^{-y_i f_t(x_i)}m1​∑i​e−yi​ft​(xi​), bounds the 0–1 training error and contracts by the factor 2ϵt(1−ϵt)≤1−4γ22\sqrt{\epsilon_{t}(1-\epsilon_{t})} \le \sqrt{1 - 4\gamma^2}2ϵt​(1−ϵt​)​≤1−4γ2​ at every round. Lemma 10.3 supplies the other half of the picture, an estimation-error bound growing only like T⋅VCdim(B)T \cdot \mathrm{VCdim}(B)T⋅VCdim(B) up to logarithms, so that Theorem 6.8 turns the pair into a generalization guarantee for boosting. The remark of §10.1 places weak learning in the statistical landscape of Part I: the VC-dimension characterizes it too, and the gain of boosting is computational.

Nothing here is machine-checked. Two points where the book's text needs care are built into the statements. The weight wtw_twt​ is undefined when ϵt=0\epsilon_t = 0ϵt​=0, and the algorithm's normalization then divides 000 by 000; in Lean the logarithm of a negative number is 000, so with ϵt=0\epsilon_t = 0ϵt​=0 the formal algorithm would ignore a perfect weak hypothesis and the bound could fail. The theorems therefore assume ϵt>0\epsilon_t > 0ϵt​>0, which is the case in which the book's formulas are defined. And the book's derivation of "infinite VC-dimension implies not weakly learnable" from the lower bound of Theorem 6.8 at ϵ=1/2−γ\epsilon = 1/2 - \gammaϵ=1/2−γ uses that bound outside the range in which Chapter 28 proves it; the statement itself is true, by the kmkmkm-point form of the No-Free-Lunch argument (Exercise 5.3 of Mission III) and Lemma B.1.

Difficulty

Exercise 10.4 (1) is a one-line embedding of BBB into L(B,T)L(B, T)L(B,T) with the weights (1,0,…,0)(1, 0, \dots, 0)(1,0,…,0) and is the entry point. Exercise 10.3 is the computation of the book: after the update, the weight of the mistakes of hth_tht​ is ewtϵte^{w_t}\epsilon_tewt​ϵt​ and the weight of the correct examples is e−wt(1−ϵt)e^{-w_t}(1 - \epsilon_t)e−wt​(1−ϵt​), and with ewt=(1−ϵt)/ϵte^{w_t} = \sqrt{(1-\epsilon_t)/\epsilon_t}ewt​=(1−ϵt​)/ϵt​​ these are equal. Theorem 10.2 needs, by induction on the round, the closed form Di(t)=e−yift(xi)/∑je−yjft(xj)D^{(t)}_i = e^{-y_i f_{t}(x_i)}/\sum_j e^{-y_j f_{t}(x_j)}Di(t)​=e−yi​ft​(xi​)/∑j​e−yj​ft​(xj​) of the distribution, the pointwise bound 1[sign⁡(f(x))≠y]≤e−yf(x)\mathbb{1}[\operatorname{sign}(f(x)) \ne y] \le e^{-y f(x)}1[sign(f(x))=y]≤e−yf(x) for the sign convention used, the telescoping product (10.2), the identity Zt+1/Zt=2ϵt(1−ϵt)Z_{t+1}/Z_t = 2\sqrt{\epsilon_t(1-\epsilon_t)}Zt+1​/Zt​=2ϵt​(1−ϵt​)​, the monotonicity of a(1−a)a(1-a)a(1−a) on [0,1/2][0, 1/2][0,1/2] and 1−a≤e−a1 - a \le e^{-a}1−a≤e−a. Lemma 10.3 counts dichotomies: Sauer's lemma bounds the restrictions of BBB to a shattered set by (em/d)d(em/d)^d(em/d)d, choosing TTT of them gives (em/d)dT(em/d)^{dT}(em/d)dT, the halfspaces of RT\mathbb{R}^TRT contribute (em/T)T(em/T)^T(em/T)T by Theorem 9.2, and the inequality 2m≤m(d+1)T2^m \le m^{(d+1)T}2m≤m(d+1)T is solved with Lemma A.1; the finite-VC lower bound m≤d+1m \le d + 1m≤d+1 handles small mmm, and the numeric slack of the book's chain must be checked. Example 10.1 combines a geometric observation, that one of the three regions of a 3-piece classifier has mass at most 1/31/31/3 and a stump agrees with the other two, with the agnostic guarantee for ERM over the stumps from Theorem 6.7, applied with accuracy 1/121/121/12; the best stump may only approach error 1/31/31/3 because constant functions are not stumps, and the slack absorbs this. The §10.1 remark is the argument sketched above.

Formalization scope

AdaBoost is a function of the sample and of the returned weak hypotheses; the weak learner's randomness and its failure probability (Remark 10.2) are not modelled, and Theorem 10.2 is the deterministic statement the book proves. Rounds are indexed from 000. The output uses sign⁡(0)=\operatorname{sign}(0) = sign(0)= negative, consistently with Mission VI. The class L(B,T)L(B,T)L(B,T) is a set of functions, so Lemma 10.3 is a statement about the VC-dimension of Mission IV, with the bound taken in N∪{∞}\mathbb{N} \cup \{\infty\}N∪{∞} through the integer part of the real right-hand side and the natural logarithm. Decision stumps are closed under negation, as the book's sign⁡(x−θ)⋅b\operatorname{sign}(x - \theta)\cdot bsign(x−θ)⋅b; constant functions are not stumps. The efficient ERM for decision stumps (§10.1.1), the face-recognition features (§10.4), Exercises 10.1, 10.2, 10.4 (2)–(3) and 10.5 are not stated. The claims of §10.3 that piecewise-constant classifiers with TTT pieces lie in L(stumps,T)L(\text{stumps}, T)L(stumps,T) and that this class shatters T+1T+1T+1 points depend on treating sign⁡(x−(−∞))\operatorname{sign}(x - (-\infty))sign(x−(−∞)) as a stump and on the sign convention; with real thresholds, L(stumps,2)L(\text{stumps}, 2)L(stumps,2) does not shatter three points under either convention, so these claims are not stated.

Trivializing readings are excluded: the weak-error hypotheses are strict where the book's formulas require it, the VC bounds are in N∪{∞}\mathbb{N} \cup \{\infty\}N∪{∞}, and the weak-learner guarantee quantifies over all distributions and all realizable labelings. Welcome contributions: the closed form of D(t)D^{(t)}D(t), the contraction identity for Zt+1/ZtZ_{t+1}/Z_tZt+1​/Zt​, and the dichotomy count behind Lemma 10.3.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 10. doi:10.1017/CBO9781107298019
  • Y. Freund, R. E. Schapire, A decision-theoretic generalization of on-line learning and an application to boosting, Journal of Computer and System Sciences 55(1), 1997. doi:10.1006/jcss.1997.1504
  • R. E. Schapire, The strength of weak learnability, Machine Learning 5(2), 1990. doi:10.1007/BF00116037
  • M. Kearns, L. Valiant, Cryptographic limitations on learning Boolean formulae and finite automata, Journal of the ACM 41(1), 1994. doi:10.1145/174644.174647
  • R. E. Schapire, Y. Freund, Boosting: Foundations and Algorithms, MIT Press, 2012.
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Machine LearningOptimizationProbability+1·Captain: naimengye

Understanding Machine Learning IX: Convex Learning Problems, Regularization and StabilityTextbook

Motivation

Chapters 12 and 13 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019) leave binary classification for the general framework in which a hypothesis is a vector w∈Rdw \in \mathbb{R}^dw∈Rd and the loss ℓ(w,z)\ell(w, z)ℓ(w,z) is a convex function of www. Convexity makes the ERM problem tractable (Lemma 12.11), but Examples 12.8 and 12.9 show that convexity, even with a bounded class, does not by itself make a problem learnable: one-dimensional linear regression with the squared loss defeats every learner. The chapter therefore isolates two families, the convex-Lipschitz-bounded and the convex-smooth-bounded problems (Definitions 12.12 and 12.13), and Chapter 13 proves that both are learnable, not by ERM but by Regularized Loss Minimization with Tikhonov regularization, A(S)∈argmin⁡wLS(w)+λ∥w∥2A(S) \in \operatorname{argmin}_w L_S(w) + \lambda\|w\|^2A(S)∈argminw​LS​(w)+λ∥w∥2. The proof goes through a new idea: stability. Theorem 13.2 expresses the expected overfitting E[LD(A(S))−LS(A(S))]\mathbb{E}[L_D(A(S)) - L_S(A(S))]E[LD​(A(S))−LS​(A(S))] exactly as the expected effect of replacing one training example, strong convexity of the regularized objective bounds that effect (Lemma 13.5, Corollaries 13.6 and 13.7), and balancing the regularization against the fit gives oracle inequalities (Corollaries 13.8 and 13.10) and sample-complexity guarantees (Corollaries 13.9 and 13.11), with ridge regression as the worked example (Theorem 13.1).

Setting

Hypotheses are vectors in Rd\mathbb{R}^dRd with the Euclidean norm, as in Mission VI; risk, empirical risk, the product law of a sample and agnostic PAC learnability are those of Mission I. A problem is convex when HHH is convex and every ℓ(⋅,z)\ell(\cdot, z)ℓ(⋅,z) is convex; it is convex-Lipschitz-bounded with parameters ρ,B\rho, Bρ,B when moreover ∥w∥≤B\|w\| \le B∥w∥≤B on HHH and every ℓ(⋅,z)\ell(\cdot, z)ℓ(⋅,z) is ρ\rhoρ-Lipschitz on Rd\mathbb{R}^dRd, and convex-smooth-bounded with parameters β,B\beta, Bβ,B when every ℓ(⋅,z)\ell(\cdot, z)ℓ(⋅,z) is nonnegative and differentiable with a β\betaβ-Lipschitz gradient. Lipschitzness and smoothness are required on all of Rd\mathbb{R}^dRd because the RLM rule is unconstrained and its outputs need not lie in HHH. The RLM rule is a relation: www is an output on SSS if it minimizes LS(w)+λ∥w∥2L_S(w) + \lambda\|w\|^2LS​(w)+λ∥w∥2 over Rd\mathbb{R}^dRd, and a learner implements the rule if all its outputs are minimizers. For the losses of the chapter the minimizer exists and is unique. Given S=(z1,…,zm)S = (z_1, \dots, z_m)S=(z1​,…,zm​) and a further example z′z'z′, S(i)S^{(i)}S(i) is SSS with ziz_izi​ replaced by z′z'z′; a learner is on-average-replace-one-stable with rate ϵ(m)\epsilon(m)ϵ(m) if E(S,z′)∼Dm+1, i∼U(m)[ℓ(A(S(i)),zi)−ℓ(A(S),zi)]≤ϵ(m)\mathbb{E}_{(S,z') \sim D^{m+1},\, i \sim U(m)}[\ell(A(S^{(i)}), z_i) - \ell(A(S), z_i)] \le \epsilon(m)E(S,z′)∼Dm+1,i∼U(m)​[ℓ(A(S(i)),zi​)−ℓ(A(S),zi​)]≤ϵ(m) for every distribution. Strong convexity is Mathlib's StrongConvexOn, which is Definition 13.4 verbatim.

Expectations over samples are integrals against product laws. For them to be genuine, the theorems about arbitrary learners assume a jointly measurable loss bounded by a constant and a measurable learner, and the theorems about RLM assume a jointly measurable, nonnegative loss bounded at the origin and a measurable learner; for RLM the latter is automatic, since the minimizer is unique.

Formalization targets

Goal: Corollary 13.9

For a convex-Lipschitz-bounded problem with parameters ρ,B>0\rho, B > 0ρ,B>0 and the RLM learner with λ(m)=2ρ2/(B2m)\lambda(m) = \sqrt{2\rho^2/(B^2 m)}λ(m)=2ρ2/(B2m)​: for every distribution, every m≥1m \ge 1m≥1 and every w∈Hw \in Hw∈H, ES[LD(A(S))]≤LD(w)+ρB8/m\mathbb{E}_S[L_D(A(S))] \le L_D(w) + \rho B\sqrt{8/m}ES​[LD​(A(S))]≤LD​(w)+ρB8/m​; hence for every ϵ>0\epsilon > 0ϵ>0 and m≥8ρ2B2/ϵ2m \ge 8\rho^2B^2/\epsilon^2m≥8ρ2B2/ϵ2, ES[LD(A(S))]≤LD(w)+ϵ\mathbb{E}_S[L_D(A(S))] \le L_D(w) + \epsilonES​[LD​(A(S))]≤LD​(w)+ϵ.

Milestones

Examples 12.8–12.9. Linear regression on R\mathbb{R}R with the squared loss is not agnostic PAC learnable, over H=RH = \mathbb{R}H=R or over H=[−1,1]H = [-1, 1]H=[−1,1].

Theorem 13.2. For any measurable learner and m≥1m \ge 1m≥1, ES[LD(A(S))−LS(A(S))]\mathbb{E}_S[L_D(A(S)) - L_S(A(S))]ES​[LD​(A(S))−LS​(A(S))] equals the replace-one expectation of (13.6).

Lemma 13.5. λ∥w∥2\lambda\|w\|^2λ∥w∥2 is 2λ2\lambda2λ-strongly convex; a strongly convex function plus a convex one is strongly convex; at a minimizer uuu of a λ\lambdaλ-strongly convex fff, f(w)−f(u)≥λ2∥w−u∥2f(w) - f(u) \ge \frac\lambda2\|w - u\|^2f(w)−f(u)≥2λ​∥w−u∥2.

Corollary 13.6. For a convex ρ\rhoρ-Lipschitz loss and λ>0\lambda > 0λ>0, RLM satisfies ℓ(A(S(i)),zi)−ℓ(A(S),zi)≤2ρ2/(λm)\ell(A(S^{(i)}), z_i) - \ell(A(S), z_i) \le 2\rho^2/(\lambda m)ℓ(A(S(i)),zi​)−ℓ(A(S),zi​)≤2ρ2/(λm) for every S,z′,iS, z', iS,z′,i, is stable with that rate, and has ES[LD(A(S))−LS(A(S))]≤2ρ2/(λm)\mathbb{E}_S[L_D(A(S)) - L_S(A(S))] \le 2\rho^2/(\lambda m)ES​[LD​(A(S))−LS​(A(S))]≤2ρ2/(λm).

Corollary 13.7. For a convex, nonnegative, β\betaβ-smooth loss and λ≥2β/m\lambda \ge 2\beta/mλ≥2β/m, the replace-one expectation is at most (48β/(λm)) E[LS(A(S))](48\beta/(\lambda m))\,\mathbb{E}[L_S(A(S))](48β/(λm))E[LS​(A(S))], and at most 48βC/(λm)48\beta C/(\lambda m)48βC/(λm) if ℓ(0,z)≤C\ell(0, z) \le Cℓ(0,z)≤C.

Corollary 13.8. ES[LD(A(S))]≤LD(w∗)+λ∥w∗∥2+2ρ2/(λm)\mathbb{E}_S[L_D(A(S))] \le L_D(w^*) + \lambda\|w^*\|^2 + 2\rho^2/(\lambda m)ES​[LD​(A(S))]≤LD​(w∗)+λ∥w∗∥2+2ρ2/(λm) for every w∗w^*w∗.

Corollary 13.10. ES[LD(A(S))]≤(1+48β/(λm)) ES[LS(A(S))]≤(1+48β/(λm))(LD(w∗)+λ∥w∗∥2)\mathbb{E}_S[L_D(A(S))] \le (1 + 48\beta/(\lambda m))\,\mathbb{E}_S[L_S(A(S))] \le (1 + 48\beta/(\lambda m))(L_D(w^*) + \lambda\|w^*\|^2)ES​[LD​(A(S))]≤(1+48β/(λm))ES​[LS​(A(S))]≤(1+48β/(λm))(LD​(w∗)+λ∥w∗∥2).

Corollary 13.11. A convex-smooth-bounded problem with ℓ(0,z)≤1\ell(0, z) \le 1ℓ(0,z)≤1 is learned by RLM with λ=ϵ/(3B2)\lambda = \epsilon/(3B^2)λ=ϵ/(3B2) once m≥150βB2/ϵ2m \ge 150\beta B^2/\epsilon^2m≥150βB2/ϵ2.

Theorem 13.1. Ridge regression on the unit ball with labels in [−1,1][-1, 1][−1,1], λ=ϵ/(3B2)\lambda = \epsilon/(3B^2)λ=ϵ/(3B2) and m≥150B2/ϵ2m \ge 150 B^2/\epsilon^2m≥150B2/ϵ2 has ES[LD(A(S))]≤min⁡∥w∥≤BLD(w)+ϵ\mathbb{E}_S[L_D(A(S))] \le \min_{\|w\| \le B} L_D(w) + \epsilonES​[LD​(A(S))]≤min∥w∥≤B​LD​(w)+ϵ.

Further items: Lemma 12.11, the hinge loss as a convex surrogate of the 0–1 loss, the stability-implies-no-overfitting remark of §13.2, and the ridge regression system (13.4)–(13.5).

Significance

Stability is the third route to learnability in the book after uniform convergence and nonuniform learnability, and the only one that applies to convex-Lipschitz-bounded problems in general, for which uniform convergence can fail (the book's Exercise 13.2). The chain from strong convexity through replace-one stability to oracle inequalities is the template for the analysis of every regularized learner, and Theorem 13.2 is an exact identity, not a bound. Ridge regression, support vector machines (Chapter 15) and the regularized algorithms of later chapters are all instances.

Nothing here is machine-checked. The sample sizes of Corollary 13.11 and Theorem 13.1 are the book's 150150150. Chaining Corollary 13.10 as printed would need 216216216, but the derivation of Corollary 13.7 actually gives the stability rate 20β/(λm)20\beta/(\lambda m)20β/(λm), with which 909090 suffices.

Difficulty

Lemma 12.11 and the hinge surrogate are direct. Lemma 13.5 is elementary but part (3) needs the limit α→0\alpha \to 0α→0 of the strong-convexity inequality at a minimizer. Examples 12.8–12.9 require constructing the two finitely supported distributions of the book and computing the risk of a fixed output on each; the probability that all mmm examples are of the second type is at least 0.990.990.99 under both, and the deterministic learner's output on that sample decides which distribution defeats it. Theorem 13.2 is the exchangeability argument of the book: E[ℓ(A(S),z′)]=E[ℓ(A(S(i)),zi)]\mathbb{E}[\ell(A(S), z')] = \mathbb{E}[\ell(A(S^{(i)}), z_i)]E[ℓ(A(S),z′)]=E[ℓ(A(S(i)),zi​)] because swapping ziz_izi​ and z′z'z′ preserves the product law; the formal work is the measure-preserving transposition on Zm+1Z^{m+1}Zm+1 and the integrability of the functions involved. Corollaries 13.6 and 13.7 follow the book's pointwise derivation from (13.7) to (13.11) and (13.12) to (13.14), where the smooth case uses the self-boundedness ∥∇ℓ∥2≤2βℓ\|\nabla\ell\|^2 \le 2\beta\ell∥∇ℓ∥2≤2βℓ of nonnegative smooth functions and the inequality (a+b)2≤3(a2+b2)(a + b)^2 \le 3(a^2 + b^2)(a+b)2≤3(a2+b2); passing to expectations then uses Theorem 13.2 and, for the smooth case, the symmetry E[ℓ(A(S(i)),z′)]=E[ℓ(A(S),zi)]\mathbb{E}[\ell(A(S^{(i)}), z')] = \mathbb{E}[\ell(A(S), z_i)]E[ℓ(A(S(i)),z′)]=E[ℓ(A(S),zi​)]. Corollaries 13.8 to 13.11 are the arithmetic of the book once (13.16), E[LS(A(S))]≤LD(w∗)+λ∥w∗∥2\mathbb{E}[L_S(A(S))] \le L_D(w^*) + \lambda\|w^*\|^2E[LS​(A(S))]≤LD​(w∗)+λ∥w∗∥2, is in hand, with the corrected constant for 13.11. The ridge system is the gradient condition for a strongly convex quadratic, and Theorem 13.1 is Corollary 13.11 applied to 12(⟨w,x⟩−y)2\frac12(\langle w, x\rangle - y)^221​(⟨w,x⟩−y)2, which is ∥x∥2\|x\|^2∥x∥2-smooth with ℓ(0,z)=y2/2≤1/2\ell(0, z) = y^2/2 \le 1/2ℓ(0,z)=y2/2≤1/2 on the support. In every expectation statement the measurability of S↦A(S)S \mapsto A(S)S↦A(S) for the RLM rule, which the theorems take as a hypothesis, is provable from uniqueness of the minimizer and is worth a lemma.

Formalization scope

Losses are real-valued functions of a vector and an example; Lipschitz and smoothness conditions are global on Rd\mathbb{R}^dRd. The RLM rule is a minimizer relation with the regularization parameter as an explicit argument, and Corollary 13.9's learner uses a parameter depending on mmm. Stability quantifies over m≥1m \ge 1m≥1 and averages over the replaced index. Expectation statements carry measurability hypotheses that make every integral genuine, and the theorems about arbitrary learners assume a bounded loss. The minimum over HHH is stated as "for every w∈Hw \in Hw∈H", so no minimizer is needed. Definitions 12.1–12.9 and Claims 12.4–12.9 (general convex analysis) are not restated, nor are Examples 12.10–12.11, the discussion of §12.3 beyond the surrogate property, Remark 13.1, and Exercises 12.1–12.4 and 13.1–13.2.

Trivializing readings are excluded: the nonlearnability examples are stated as negations of the framework's learnability, the stability identity is an equality with both sides genuine integrals, and the constants of the oracle inequalities are the book's. Welcome contributions: the transposition invariance of product laws behind Theorem 13.2, the bound ∥A(S)∥2≤LS(0)/λ\|A(S)\|^2 \le L_S(0)/\lambda∥A(S)∥2≤LS​(0)/λ for RLM outputs, the measurability of the RLM minimizer, and the self-boundedness inequality (12.6).

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapters 12 and 13. doi:10.1017/CBO9781107298019
  • O. Bousquet, A. Elisseeff, Stability and generalization, Journal of Machine Learning Research 2, 2002.
  • S. Shalev-Shwartz, O. Shamir, N. Srebro, K. Sridharan, Learnability, stability and uniform convergence, Journal of Machine Learning Research 11, 2010.
  • A. N. Tikhonov, On the stability of inverse problems, Doklady Akademii Nauk SSSR 39(5), 1943.
  • S. Boyd, L. Vandenberghe, Convex Optimization, Cambridge University Press, 2004. doi:10.1017/CBO9780511804441
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Machine LearningOptimizationProbability·Captain: naimengye

Understanding Machine Learning X: Gradient Descent, Subgradients and Stochastic Gradient DescentTextbook

Motivation

Chapter 13 showed that convex-Lipschitz-bounded and convex-smooth-bounded problems are learnable by regularized loss minimization; Chapter 14 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019) shows how to learn them with the simplest possible algorithm. Gradient descent moves against the gradient with a fixed step size and outputs the average of its iterates; its analysis (Lemma 14.1) is a single telescoping identity that bounds ∑t⟨w(t)−w⋆,vt⟩\sum_t \langle w^{(t)} - w^\star, v_t\rangle∑t​⟨w(t)−w⋆,vt​⟩ for any sequence of directions vtv_tvt​, and this generality is the whole point. It gives the rate Bρ/TB\rho/\sqrt TBρ/T​ for convex Lipschitz functions (Corollary 14.2), extends to nondifferentiable functions through subgradients (Definition 14.4, Lemmas 14.3 and 14.7), and, because it never used that the directions were gradients, extends to stochastic gradient descent, in which each direction is random with a subgradient as its conditional expectation (Theorem 14.8). Applied to the risk LD(w)L_D(w)LD​(w) with a fresh example at each step, SGD is a learning algorithm whose sample complexity is the iteration count: B2ρ2/ϵ2B^2\rho^2/\epsilon^2B2ρ2/ϵ2 examples for convex-Lipschitz-bounded problems (Corollary 14.12) and 12B2β/ϵ212B^2\beta/\epsilon^212B2β/ϵ2 for convex-smooth-bounded ones (Theorem 14.13, Corollary 14.14). A projected, decreasing-step variant for strongly convex objectives has rate (ρ2/(2λT))(1+log⁡T)(\rho^2/(2\lambda T))(1 + \log T)(ρ2/(2λT))(1+logT) (Theorem 14.11).

Setting

Hypotheses are vectors in Rd\mathbb{R}^dRd; convex, Lipschitz and smooth losses, convex-Lipschitz-bounded and convex-smooth-bounded problems, and strong convexity are those of Mission IX. A vector vvv is a subgradient of fff at www if f(u)≥f(w)+⟨u−w,v⟩f(u) \ge f(w) + \langle u - w, v\ranglef(u)≥f(w)+⟨u−w,v⟩ for all uuu. The iterates of an update rule w(1)=0w^{(1)} = 0w(1)=0, w(t+1)=w(t)−ηvtw^{(t+1)} = w^{(t)} - \eta v_tw(t+1)=w(t)−ηvt​ are indexed from 000, and the output after TTT steps is wˉ=1T∑t<Tw(t)\bar w = \frac1T\sum_{t < T} w^{(t)}wˉ=T1​∑t<T​w(t). The randomness of SGD is modelled as the chapter uses it in §14.5: a sample z0,…,zT−1z_0, \dots, z_{T-1}z0​,…,zT−1​ drawn i.i.d. from DDD and an oracle ggg with vt=g(w(t),zt)v_t = g(w^{(t)}, z_t)vt​=g(w(t),zt​), where ggg is a stochastic subgradient oracle for fff if Ez∼D g(w,z)∈∂f(w)\mathbb{E}_{z \sim D}\, g(w, z) \in \partial f(w)Ez∼D​g(w,z)∈∂f(w) for every www. This is the book's condition E[vt∣w(t)]∈∂f(w(t))\mathbb{E}[v_t \mid w^{(t)}] \in \partial f(w^{(t)})E[vt​∣w(t)]∈∂f(w(t)) in the case where the direction depends on the past only through w(t)w^{(t)}w(t) and on fresh randomness, which is what every application in the book does; the expectation E[f(wˉ)]\mathbb{E}[f(\bar w)]E[f(wˉ)] is then an integral over DTD^TDT. For learning, g(w,z)g(w, z)g(w,z) is a subgradient of ℓ(⋅,z)\ell(\cdot, z)ℓ(⋅,z) at www, so that Ezg(w,z)\mathbb{E}_z g(w,z)Ez​g(w,z) is a subgradient of LDL_DLD​ at www (14.13). The projection of www onto a convex set HHH is a nearest point of HHH, and the strongly convex variant projects after each step with step size 1/(λt)1/(\lambda t)1/(λt).

Formalization targets

Goal: Theorem 14.8

For a convex fff, B,ρ>0B, \rho > 0B,ρ>0, a measurable oracle ggg with Ezg(w,z)∈∂f(w)\mathbb{E}_z g(w, z) \in \partial f(w)Ez​g(w,z)∈∂f(w) and ∥g(w,z)∥≤ρ\|g(w, z)\| \le \rho∥g(w,z)∥≤ρ, any w⋆w^\starw⋆ with ∥w⋆∥≤B\|w^\star\| \le B∥w⋆∥≤B, T≥1T \ge 1T≥1 and η=B/(ρT)\eta = B/(\rho\sqrt T)η=B/(ρT​): E[f(wˉ)]−f(w⋆)≤Bρ/T\mathbb{E}[f(\bar w)] - f(w^\star) \le B\rho/\sqrt TE[f(wˉ)]−f(w⋆)≤Bρ/T​; and for every ϵ>0\epsilon > 0ϵ>0, T≥B2ρ2/ϵ2T \ge B^2\rho^2/\epsilon^2T≥B2ρ2/ϵ2 gives E[f(wˉ)]−f(w⋆)≤ϵ\mathbb{E}[f(\bar w)] - f(w^\star) \le \epsilonE[f(wˉ)]−f(w⋆)≤ϵ.

Milestones

Lemma 14.1. For any directions, ∑t<T⟨w(t)−w⋆,vt⟩≤∥w⋆∥2/(2η)+(η/2)∑t<T∥vt∥2\sum_{t<T}\langle w^{(t)} - w^\star, v_t\rangle \le \|w^\star\|^2/(2\eta) + (\eta/2)\sum_{t<T}\|v_t\|^2∑t<T​⟨w(t)−w⋆,vt​⟩≤∥w⋆∥2/(2η)+(η/2)∑t<T​∥vt​∥2; with ∥vt∥≤ρ\|v_t\| \le \rho∥vt​∥≤ρ, ∥w⋆∥≤B\|w^\star\| \le B∥w⋆∥≤B and η=B/(ρT)\eta = B/(\rho\sqrt T)η=B/(ρT​) the average is at most Bρ/TB\rho/\sqrt TBρ/T​.

Corollary 14.2. Subgradient descent on a convex ρ\rhoρ-Lipschitz fff with η=B/(ρT)\eta = B/(\rho\sqrt T)η=B/(ρT​) has f(wˉ)−f(w⋆)≤Bρ/Tf(\bar w) - f(w^\star) \le B\rho/\sqrt Tf(wˉ)−f(w⋆)≤Bρ/T​ for every ∥w⋆∥≤B\|w^\star\| \le B∥w⋆∥≤B, and T≥B2ρ2/ϵ2T \ge B^2\rho^2/\epsilon^2T≥B2ρ2/ϵ2 gives ϵ\epsilonϵ.

Lemma 14.7. A convex fff on Rd\mathbb{R}^dRd is ρ\rhoρ-Lipschitz iff all its subgradients have norm at most ρ\rhoρ.

Lemma 14.9. For the projection vvv of www onto a convex HHH and u∈Hu \in Hu∈H, ∥w−u∥2≥∥v−u∥2\|w - u\|^2 \ge \|v - u\|^2∥w−u∥2≥∥v−u∥2.

Theorem 14.11. For λ\lambdaλ-strongly convex fff, a closed convex HHH, an oracle with Ez∥g(w,z)∥2≤ρ2\mathbb{E}_z\|g(w,z)\|^2 \le \rho^2Ez​∥g(w,z)∥2≤ρ2 and any w⋆∈Hw^\star \in Hw⋆∈H, the projected variant with ηt=1/(λt)\eta_t = 1/(\lambda t)ηt​=1/(λt) has E[f(wˉ)]−f(w⋆)≤(ρ2/(2λT))(1+log⁡T)\mathbb{E}[f(\bar w)] - f(w^\star) \le (\rho^2/(2\lambda T))(1 + \log T)E[f(wˉ)]−f(w⋆)≤(ρ2/(2λT))(1+logT).

Corollary 14.12. SGD on the risk of a convex-Lipschitz-bounded problem with T≥B2ρ2/ϵ2T \ge B^2\rho^2/\epsilon^2T≥B2ρ2/ϵ2 examples has E[LD(wˉ)]≤LD(w)+ϵ\mathbb{E}[L_D(\bar w)] \le L_D(w) + \epsilonE[LD​(wˉ)]≤LD​(w)+ϵ for every w∈Hw \in Hw∈H.

Theorem 14.13. For convex, β\betaβ-smooth, nonnegative losses and ηβ<1\eta\beta < 1ηβ<1, SGD with gradient directions has E[LD(wˉ)]≤11−ηβ(LD(w⋆)+∥w⋆∥2/(2ηT))\mathbb{E}[L_D(\bar w)] \le \frac{1}{1-\eta\beta}(L_D(w^\star) + \|w^\star\|^2/(2\eta T))E[LD​(wˉ)]≤1−ηβ1​(LD​(w⋆)+∥w⋆∥2/(2ηT)).

Corollary 14.14. For a convex-smooth-bounded problem with ℓ(0,z)≤1\ell(0,z) \le 1ℓ(0,z)≤1 and any ϵ>0\epsilon > 0ϵ>0, SGD with η=1/(β(1+3/ϵ))\eta = 1/(\beta(1 + 3/\epsilon))η=1/(β(1+3/ϵ)) and T≥12B2β/ϵ2T \ge 12B^2\beta/\epsilon^2T≥12B2β/ϵ2 has E[LD(wˉ)]≤LD(w)+ϵ\mathbb{E}[L_D(\bar w)] \le L_D(w) + \epsilonE[LD​(wˉ)]≤LD​(w)+ϵ for every w∈Hw \in Hw∈H.

Further items: Lemma 14.3, Claims 14.5, 14.6 and 14.10, and the hinge-loss subgradient of Example 14.2.

Significance

SGD is the algorithm behind most of modern machine learning, and Theorem 14.8 is its basic guarantee: dimension-free, independent of the form of fff beyond convexity, and with a sample complexity matching the regularization bound of Chapter 13 up to a constant. Lemma 14.1 isolates the deterministic identity that makes both gradient descent and its stochastic version work, and Lemma 14.7 is the bridge between the Lipschitz assumption of Chapter 12 and the bounded directions the analysis needs. The learning corollaries make the point that runs through Part II of the book: for convex problems, optimization and learning are the same activity, and one pass over the data suffices.

Nothing here is machine-checked. The chapter's statements are essentially correct, and the formalization records the reading choices rather than corrections: the i.i.d.-oracle model of the randomness, the subgradient form of gradient descent, the bound at every point of the ball rather than at a minimizer, and, in Corollary 14.14, the assumptions ϵ≤1\epsilon \le 1ϵ≤1 and 0∈H0 \in H0∈H under which the derivation from Theorem 14.13 goes through.

Difficulty

Lemma 14.1 is a completed square and a telescoping sum and is the intended entry point; the Bρ/TB\rho/\sqrt TBρ/T​ clause is the substitution of η\etaη. Corollary 14.2 is Lemma 14.1 with Jensen's inequality for the average and the subgradient inequality at each iterate, plus Lemma 14.7 to bound the directions. The subgradient facts need convex analysis: Lemma 14.3 in the direction "convex implies subgradients exist" is the supporting hyperplane theorem on Rd\mathbb{R}^dRd, which Mathlib does not offer directly; Claim 14.5 uses the first-order characterization of convexity for differentiable functions; Lemma 14.7's "Lipschitz implies bounded subgradients" is the book's one-line argument along u=w+ϵv/∥v∥u = w + \epsilon v/\|v\|u=w+ϵv/∥v∥. Theorem 14.8 is Lemma 14.1 plus the conditioning argument of the book, which in the i.i.d.-oracle model is Fubini on the product DTD^TDT: the iterate w(t)w^{(t)}w(t) is a measurable function of z0,…,zt−1z_0, \dots, z_{t-1}z0​,…,zt−1​, and integrating ⟨w(t)−w⋆,g(w(t),zt)⟩\langle w^{(t)} - w^\star, g(w^{(t)}, z_t)\rangle⟨w(t)−w⋆,g(w(t),zt​)⟩ over ztz_tzt​ first gives ⟨w(t)−w⋆,Ezg(w(t),z)⟩≥f(w(t))−f(w⋆)\langle w^{(t)} - w^\star, \mathbb{E}_z g(w^{(t)}, z)\rangle \ge f(w^{(t)}) - f(w^\star)⟨w(t)−w⋆,Ez​g(w(t),z)⟩≥f(w(t))−f(w⋆). Theorem 14.11 adds the projection lemma, the strong-convexity inequality of Claim 14.10, the telescoping of λt2(at−at+1)−λ2at\frac{\lambda t}{2}(a_t - a_{t+1}) - \frac\lambda2 a_t2λt​(at​−at+1​)−2λ​at​ and the harmonic sum ∑t≤T1/t≤1+log⁡T\sum_{t \le T} 1/t \le 1 + \log T∑t≤T​1/t≤1+logT; the second-moment hypothesis makes E∥w(t)−w⋆∥2\mathbb{E}\|w^{(t)} - w^\star\|^2E∥w(t)−w⋆∥2 finite inductively. Corollary 14.12 is Theorem 14.8 for f=LDf = L_Df=LD​ with the oracle of (14.13), which requires exchanging a subgradient inequality with the integral over zzz. Theorem 14.13 replaces the Lipschitz bound by self-boundedness, ∥∇ℓ∥2≤2βℓ\|\nabla\ell\|^2 \le 2\beta\ell∥∇ℓ∥2≤2βℓ, and rearranges; Corollary 14.14 is its arithmetic under the added assumptions. In all expectation statements the measurability of the iterates in the sample, from the measurability of the oracle, is a routine but necessary lemma.

Formalization scope

Iterates are defined by structural recursion, so no argmin is chosen; the sample-driven SGD stops after TTT updates; the projection onto HHH is a chosen nearest point, unique for closed convex HHH. Bounds are stated for every w⋆w^\starw⋆ in the ball (or in HHH) rather than for a minimizer, which is what the proofs give and is stronger. The oracle bound ∥g(w,z)∥≤ρ\|g(w,z)\| \le \rho∥g(w,z)∥≤ρ is required surely (the book: with probability 111); the almost-sure version is a routine extension. The second-moment hypothesis of Theorem 14.11 is a lower Lebesgue integral, so that a non-integrable oracle cannot satisfy it vacuously. The learning corollaries assume a measurable loss, nonnegative and bounded at the origin, so that the risks are genuine integrals, and a measurable selector of subgradients. Variable step sizes (§14.4.2), other averaging schemes (§14.4.3), SGD for regularized loss minimization (§14.5.3) and the exercises are not stated.

Trivializing readings are excluded: the expectations are over the product law of the examples with measurable integrands, the subgradient conditions are pointwise inequalities, and the iteration counts are the book's. Welcome contributions: Lemma 14.1 as a reusable telescoping lemma, the measurability of the SGD iterates, and the Fubini step that turns an oracle condition into the inequality (14.10).

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 14. doi:10.1017/CBO9781107298019
  • H. Robbins, S. Monro, A stochastic approximation method, Annals of Mathematical Statistics 22(3), 1951. doi:10.1214/aoms/1177729586
  • M. Zinkevich, Online convex programming and generalized infinitesimal gradient ascent, Proceedings of ICML, 2003.
  • A. Nemirovski, A. Juditsky, G. Lan, A. Shapiro, Robust stochastic approximation approach to stochastic programming, SIAM Journal on Optimization 19(4), 2009. doi:10.1137/070704277
  • S. Shalev-Shwartz, Online learning and online convex optimization, Foundations and Trends in Machine Learning 4(2), 2012. doi:10.1561/2200000018
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Machine LearningOptimizationStatistics·Captain: naimengye

Understanding Machine Learning XI: Support Vector Machines and MarginTextbook

Motivation

The sample complexity of learning halfspaces in Rd\mathbb{R}^dRd grows with ddd, which is bad news when features are many or infinite. Chapter 15 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019) introduces the support vector machine, the learning rule that replaces dimension by geometry. Among the halfspaces separating a sample, Hard-SVM picks the one of largest margin, the distance from the hyperplane to the nearest example (Claim 15.1, Lemma 15.2); if the data are separable with margin γ\gammaγ and lie in a ball of radius ρ\rhoρ, the resulting classifier has error O(ρ/(γm))O(\rho/(\gamma\sqrt m))O(ρ/(γm​)) whatever the dimension (Theorem 15.4), and the Perceptron of Chapter 9 makes at most (ρ/γ)2(\rho/\gamma)^2(ρ/γ)2 updates (Remark 15.1). Soft-SVM drops separability by allowing slack variables, and Claim 15.5 identifies it with regularized hinge-loss minimization, so that the stability theory of Chapter 13 applies: the hinge loss is ∥x∥\|x\|∥x∥-Lipschitz (Claim 15.6), and Corollary 15.7 gives an expected-risk bound depending only on the norms of the data and of the comparison halfspace. The chapter closes with the optimality conditions that explain the name: the Hard-SVM solution is a combination of the examples on the margin (Theorem 15.8, via the Fritz John conditions, Lemma 15.9).

Setting

Vectors live in Rd\mathbb{R}^dRd as in Mission VI; labels are real numbers, with y∈{±1}y \in \{\pm 1\}y∈{±1} as a hypothesis wherever the book needs it. A sample is linearly separable if some halfspace (w,b)(w, b)(w,b) has yi(⟨w,xi⟩+b)>0y_i(\langle w, x_i\rangle + b) > 0yi​(⟨w,xi​⟩+b)>0 for all iii, and the margin of (w,b)(w, b)(w,b) on the sample is min⁡iyi(⟨w,xi⟩+b)\min_i y_i(\langle w, x_i\rangle + b)mini​yi​(⟨w,xi​⟩+b). Hard-SVM solutions are minimizers of ∥w∥\|w\|∥w∥ subject to yi(⟨w,xi⟩+b)≥1y_i(\langle w, x_i\rangle + b) \ge 1yi​(⟨w,xi​⟩+b)≥1, formalized as a relation; the minimizer is unique whenever the constraints are feasible, and the homogenous version sets b=0b = 0b=0. A distribution over Rd×{±1}\mathbb{R}^d \times \{\pm 1\}Rd×{±1} is separable with a (γ,ρ)(\gamma, \rho)(γ,ρ)-margin if some unit w⋆w^\starw⋆ (and b⋆b^\starb⋆) has y(⟨w⋆,x⟩+b⋆)≥γy(\langle w^\star, x\rangle + b^\star) \ge \gammay(⟨w⋆,x⟩+b⋆)≥γ and ∥x∥≤ρ\|x\| \le \rho∥x∥≤ρ almost surely. Soft-SVM is the problem λ∥w∥2+1m∑ξi\lambda\|w\|^2 + \frac1m\sum\xi_iλ∥w∥2+m1​∑ξi​ under yi(⟨w,xi⟩+b)≥1−ξiy_i(\langle w, x_i\rangle + b) \ge 1 - \xi_iyi​(⟨w,xi​⟩+b)≥1−ξi​, ξi≥0\xi_i \ge 0ξi​≥0; its homogenous form is the regularized loss minimization rule of Mission IX for the hinge loss max⁡{0,1−y⟨w,x⟩}\max\{0, 1 - y\langle w, x\rangle\}max{0,1−y⟨w,x⟩}, and the 0–1 loss is 1[y⟨w,x⟩≤0]\mathbb{1}[y\langle w, x\rangle \le 0]1[y⟨w,x⟩≤0]. Expectations over samples are integrals against DmD^mDm, with the measurability conventions of Mission IX.

Formalization targets

Goal: Corollary 15.7, last part

For DDD on {∥x∥≤ρ}×{±1}\{\|x\| \le \rho\} \times \{\pm 1\}{∥x∥≤ρ}×{±1} almost surely, B>0B > 0B>0, and the Soft-SVM learner with λ=2ρ2/(B2m)\lambda = \sqrt{2\rho^2/(B^2 m)}λ=2ρ2/(B2m)​: ES[LD0−1(A(S))]≤ES[LDhinge(A(S))]\mathbb{E}_S[L^{0-1}_D(A(S))] \le \mathbb{E}_S[L^{hinge}_D(A(S))]ES​[LD0−1​(A(S))]≤ES​[LDhinge​(A(S))], and for every www with ∥w∥≤B\|w\| \le B∥w∥≤B, ES[LDhinge(A(S))]≤LDhinge(w)+8ρ2B2/m\mathbb{E}_S[L^{hinge}_D(A(S))] \le L^{hinge}_D(w) + \sqrt{8\rho^2 B^2/m}ES​[LDhinge​(A(S))]≤LDhinge​(w)+8ρ2B2/m​.

Milestones

Claim 15.1. The distance from xxx to {v:⟨w,v⟩+b=0}\{v : \langle w, v\rangle + b = 0\}{v:⟨w,v⟩+b=0} with ∥w∥=1\|w\| = 1∥w∥=1 is ∣⟨w,x⟩+b∣|\langle w, x\rangle + b|∣⟨w,x⟩+b∣.

Lemma 15.2. For a sample with both labels present, the normalized Hard-SVM output has unit norm and margin at least that of every unit-norm halfspace.

Theorem 15.4. Under homogenous (γ,ρ)(\gamma, \rho)(γ,ρ)-separability, with probability at least 1−δ1 - \delta1−δ the 0–1 risk of the Hard-SVM output is at most 4(ρ/γ)2/m+2log⁡(2/δ)/m\sqrt{4(\rho/\gamma)^2/m} + \sqrt{2\log(2/\delta)/m}4(ρ/γ)2/m​+2log(2/δ)/m​.

Claim 15.5. Every feasible slack vector has average at least the hinge loss, and the hinge losses are feasible slacks.

Claim 15.6. For y∈{±1}y \in \{\pm 1\}y∈{±1}, w↦max⁡{0,1−y⟨w,x⟩}w \mapsto \max\{0, 1 - y\langle w, x\rangle\}w↦max{0,1−y⟨w,x⟩} is ∥x∥\|x\|∥x∥-Lipschitz.

Corollary 15.7, first parts. For every uuu, ES[LDhinge(A(S))]\mathbb{E}_S[L^{hinge}_D(A(S))]ES​[LDhinge​(A(S))] and ES[LD0−1(A(S))]\mathbb{E}_S[L^{0-1}_D(A(S))]ES​[LD0−1​(A(S))] are at most LDhinge(u)+λ∥u∥2+2ρ2/(λm)L^{hinge}_D(u) + \lambda\|u\|^2 + 2\rho^2/(\lambda m)LDhinge​(u)+λ∥u∥2+2ρ2/(λm).

Theorem 15.8. The homogenous Hard-SVM solution is ∑i∈Iαixi\sum_{i \in I}\alpha_i x_i∑i∈I​αi​xi​ with I={i:∣⟨w0,xi⟩∣=1}I = \{i : |\langle w_0, x_i\rangle| = 1\}I={i:∣⟨w0​,xi​⟩∣=1}.

Lemma 15.9. Fritz John conditions, in the correct form with a multiplier on ∇f\nabla f∇f.

Further items: Exercise 15.1 (the two Hard-SVM formulations agree) and Exercise 15.2 (the Perceptron makes at most (ρ/γ)2(\rho/\gamma)^2(ρ/γ)2 updates).

Significance

SVM is the bridge between the statistical theory of Part I and the kernel methods of Chapter 16: because the bounds of Theorem 15.4 and Corollary 15.7 involve only ρ\rhoρ, γ\gammaγ and BBB, the same algorithm can be run after an embedding into a huge or infinite-dimensional feature space, and Theorem 15.8, that the solution lies in the span of the examples, is what makes the embedding computable. Corollary 15.7 is also the first place where the abstract machinery of Chapter 13 is applied to a specific learning rule.

Nothing here is machine-checked. One correction is built in: the Fritz John lemma is stated with the multiplier α0≥0\alpha_0 \ge 0α0​≥0 on ∇f(w⋆)\nabla f(w^\star)∇f(w⋆) and nonnegative multipliers not all zero, since the printed form, with ∇f(w⋆)\nabla f(w^\star)∇f(w⋆) unweighted and α\alphaα unrestricted, fails already for f(w)=wf(w) = wf(w)=w and g1(w)=w2g_1(w) = w^2g1​(w)=w2 on the line. Theorem 15.8 is unaffected: its constraints are affine, so the multiplier on ∇f\nabla f∇f can be taken to be 111.

Difficulty

Claim 15.6 and Claim 15.5 are short inequalities and the intended entry points, and Exercise 15.2 is Theorem 9.1 of Mission VI with B≤1/γB \le 1/\gammaB≤1/γ and R≤ρR \le \rhoR≤ρ. Claim 15.1 is the book's computation with the foot of the perpendicular v=x−(⟨w,x⟩+b)wv = x - (\langle w, x\rangle + b)wv=x−(⟨w,x⟩+b)w and a Pythagorean inequality for every other point of the hyperplane, packaged as an infimum distance. Lemma 15.2 is the rescaling argument of the book, together with the observation that both labels force w0≠0w_0 \ne 0w0​=0; Exercise 15.1 needs the positivity of the optimal margin on a separable sample. Corollary 15.7 is Corollaries 13.8 and 13.9 of Mission IX for the hinge loss, whose Lipschitz constant is ∥x∥\|x\|∥x∥ only on the support of DDD, so the stability argument must be run with the almost-sure bound; the 0–1 clause is the pointwise inequality ℓ0−1≤ℓhinge\ell_{0-1} \le \ell_{hinge}ℓ0−1​≤ℓhinge​. Theorem 15.4 is the content of §26.3: Rademacher complexity of the class of norm-bounded halfspaces, the contraction lemma for the ramp loss, the observation that the Hard-SVM output has zero ramp loss on the sample and norm at most 1/γ1/\gamma1/γ, and a concentration step, all of which will be items of the Rademacher mission. Theorem 15.8 is the KKT theorem for a strictly convex quadratic with affine constraints (Slater's condition holds), and Lemma 15.9 is the general Fritz John theorem for differentiable data, whose proof goes through a separation or penalty argument; neither is in Mathlib.

Formalization scope

Hard-SVM and Soft-SVM are relations and learners, not programs; the margin is a real infimum over the sample; the ramp loss is defined but its bounds belong to Chapter 26. Theorem 15.4 is stated for any learner that returns the Hard-SVM solution whenever the sample is feasible, which is almost surely the case under the margin assumption, and bounds the failure event in outer measure. Corollary 15.7 carries the measurability conventions of Mission IX. The Fritz John lemma is stated correctly rather than as printed. The duality of §15.4, the SGD implementation of §15.5 (whose guarantee needs the trajectory bound of §14.5.3 rather than Theorem 14.11 as stated in Mission X), Exercises 15.3 and 15.4, and Remark 15.2 are not stated.

Trivializing readings are excluded: both labels must be present for the normalized Hard-SVM output, the margin assumption and the support condition are almost sure with respect to DDD, and the risks are genuine integrals. Welcome contributions: the uniqueness of the Hard-SVM minimizer, the KKT conditions for affine constraints, and the pointwise comparison of the 0–1, ramp and hinge losses.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 15. doi:10.1017/CBO9781107298019
  • C. Cortes, V. Vapnik, Support-vector networks, Machine Learning 20(3), 1995. doi:10.1007/BF00994018
  • B. E. Boser, I. M. Guyon, V. N. Vapnik, A training algorithm for optimal margin classifiers, Proceedings of COLT, 1992. doi:10.1145/130385.130401
  • F. John, Extremum problems with inequalities as subsidiary conditions, in Studies and Essays Presented to R. Courant, 1948.
  • N. Cristianini, J. Shawe-Taylor, An Introduction to Support Vector Machines, Cambridge University Press, 2000. doi:10.1017/CBO9780511801389
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Machine LearningOptimization·Captain: naimengye

Understanding Machine Learning XII: Kernel Methods and the Representer TheoremTextbook

Motivation

Chapter 15 bounded the sample complexity of large-margin halfspaces by the norms of the data and of the separator, independently of the dimension. Chapter 16 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019) removes the remaining obstacle to using halfspaces in very high-dimensional feature spaces: computation. After embedding the data by a feature map ψ\psiψ into a Hilbert space, every SVM-like problem has the form min⁡wf(⟨w,ψ(x1)⟩,…,⟨w,ψ(xm)⟩)+R(∥w∥)\min_w f(\langle w, \psi(x_1)\rangle, \dots, \langle w, \psi(x_m)\rangle) + R(\|w\|)minw​f(⟨w,ψ(x1​)⟩,…,⟨w,ψ(xm​)⟩)+R(∥w∥) (16.2), and the representer theorem (Theorem 16.1) says that an optimal solution lies in the span of the mapped examples. Consequently the problem can be rewritten in terms of the mmm coefficients and the kernel K(x,x′)=⟨ψ(x),ψ(x′)⟩K(x, x') = \langle\psi(x), \psi(x')\rangleK(x,x′)=⟨ψ(x),ψ(x′)⟩ alone (16.3): this is the kernel trick. The chapter exhibits the polynomial and Gaussian kernels (Examples 16.1 and 16.2), characterizes the functions that are kernels as the positive semidefinite ones (Lemma 16.2), and shows that the SGD solver for Soft-SVM of §15.5 can be run entirely on kernel evaluations (Lemma 16.3).

Setting

A feature map ψ:X→F\psi : X \to Fψ:X→F takes values in a real Hilbert space, a complete real inner product space; its kernel is K(x,x′)=⟨ψ(x),ψ(x′)⟩K(x, x') = \langle\psi(x), \psi(x')\rangleK(x,x′)=⟨ψ(x),ψ(x′)⟩, and a function KKK implements an inner product in some Hilbert space if it is the kernel of some feature map into some Hilbert space, quantified existentially in the universe of the domain. The Gram matrix of a sample is Gij=K(xi,xj)G_{ij} = K(x_i, x_j)Gij​=K(xi​,xj​). The general objective (16.2) is f(⟨w,ψ(x1)⟩,…,⟨w,ψ(xm)⟩)+R(∥w∥)f(\langle w, \psi(x_1)\rangle, \dots, \langle w, \psi(x_m)\rangle) + R(\|w\|)f(⟨w,ψ(x1​)⟩,…,⟨w,ψ(xm​)⟩)+R(∥w∥) with fff arbitrary and RRR nondecreasing on [0,∞)[0, \infty)[0,∞). The SGD procedure of §15.5 in the feature space keeps θ(t)\theta^{(t)}θ(t) with w(t)=θ(t)/(λ(t+1))w^{(t)} = \theta^{(t)}/(\lambda(t+1))w(t)=θ(t)/(λ(t+1)) (iterates indexed from 000) and, at each step, for the chosen index iii, adds yiψ(xi)y_i\psi(x_i)yi​ψ(xi​) to θ\thetaθ when yi⟨w(t),ψ(xi)⟩<1y_i\langle w^{(t)}, \psi(x_i)\rangle < 1yi​⟨w(t),ψ(xi​)⟩<1; its kernelized version keeps coefficients β(t)\beta^{(t)}β(t) with α(t)=β(t)/(λ(t+1))\alpha^{(t)} = \beta^{(t)}/(\lambda(t+1))α(t)=β(t)/(λ(t+1)) and tests yi∑jαj(t)K(xj,xi)<1y_i\sum_j\alpha^{(t)}_j K(x_j, x_i) < 1yi​∑j​αj(t)​K(xj​,xi​)<1. Both are driven by the same sequence of chosen indices, which stands for the uniformly random choices of the book.

Formalization targets

Goal: Theorem 16.1 (Representer Theorem)

If RRR is nondecreasing on [0,∞)[0,\infty)[0,∞) and the problem (16.2) has an optimal solution, then there is α∈Rm\alpha \in \mathbb{R}^mα∈Rm such that ∑iαiψ(xi)\sum_i \alpha_i\psi(x_i)∑i​αi​ψ(xi​) is an optimal solution.

Milestones

Equation (16.3). For w=∑jαjψ(xj)w = \sum_j\alpha_j\psi(x_j)w=∑j​αj​ψ(xj​) the objective equals f(∑jαjK(xj,x1),…)+R(∑i,jαiαjK(xj,xi))f\big(\sum_j\alpha_jK(x_j, x_1), \dots\big) + R\big(\sqrt{\sum_{i,j}\alpha_i\alpha_jK(x_j, x_i)}\big)f(∑j​αj​K(xj​,x1​),…)+R(∑i,j​αi​αj​K(xj​,xi​)​).

Example 16.1. The polynomial kernel (1+⟨x,x′⟩)k(1 + \langle x, x'\rangle)^k(1+⟨x,x′⟩)k on Rn\mathbb{R}^nRn is ⟨ψ(x),ψ(x′)⟩\langle\psi(x), \psi(x')\rangle⟨ψ(x),ψ(x′)⟩ for the monomial map into R(n+1)k\mathbb{R}^{(n+1)^k}R(n+1)k.

Example 16.2. On R\mathbb{R}R, the map ψ(x)n=e−x2/2xn/n!\psi(x)_n = e^{-x^2/2}x^n/\sqrt{n!}ψ(x)n​=e−x2/2xn/n!​ into ℓ2\ell^2ℓ2 has ⟨ψ(x),ψ(x′)⟩=e−(x−x′)2/2\langle\psi(x), \psi(x')\rangle = e^{-(x-x')^2/2}⟨ψ(x),ψ(x′)⟩=e−(x−x′)2/2; the Gaussian kernel e−∥x−x′∥2/(2σ)e^{-\|x-x'\|^2/(2\sigma)}e−∥x−x′∥2/(2σ) on Rn\mathbb{R}^nRn is a kernel for every σ>0\sigma > 0σ>0.

Lemma 16.2. A symmetric KKK is a kernel iff all its Gram matrices are positive semidefinite.

Lemma 16.3. The kernelized SGD reproduces the feature-space SGD: θ(t)=∑jβj(t)ψ(xj)\theta^{(t)} = \sum_j\beta^{(t)}_j\psi(x_j)θ(t)=∑j​βj(t)​ψ(xj​) for all ttt, hence the outputs coincide.

Further items: Exercise 16.3 (kernel ridge regression: minimizers of the coefficient objective give minimizers of the ridge objective, and (2λmI+G)α=y(2\lambda mI + G)\alpha = y(2λmI+G)α=y gives one), Exercise 16.4 (min⁡{x,x′}\min\{x, x'\}min{x,x′} is a kernel), Exercise 16.6 (the nearest-class-mean rule is a halfspace).

Significance

The representer theorem is the reason kernel methods exist: it reduces an optimization over an arbitrary Hilbert space to one over Rm\mathbb{R}^mRm, and Lemma 16.2 says the reduction needs nothing but a positive semidefinite similarity function, so one may design the kernel directly, as in the string example of §16.2.1. Lemma 16.3 makes the connection to Chapter 14 concrete: a first-order method never leaves the span of the examples, so it too can be run on the Gram matrix. Together with Chapter 15, the chapter closes the book's treatment of linear predictors: expressive through the embedding, statistically controlled through the margin, and computable through the kernel.

Nothing here is machine-checked. The statements are faithful to the book with two clarifications: the representer theorem assumes the existence of an optimal solution, which the book's proof also assumes, and the kernel-SGD equivalence is stated for a fixed sequence of chosen indices, which is the content of the book's inductive proof.

Difficulty

Equation (16.3) and Exercise 16.6 are inner-product algebra and the entry points. The representer theorem needs the orthogonal decomposition w⋆=∑iαiψ(xi)+uw^\star = \sum_i\alpha_i\psi(x_i) + uw⋆=∑i​αi​ψ(xi​)+u with uuu orthogonal to the span, which is available in Mathlib for the finite-dimensional, hence complete, subspace spanned by the ψ(xi)\psi(x_i)ψ(xi​), together with the Pythagorean identity and the monotonicity of RRR. Example 16.1 is the multinomial expansion of (1+⟨x,x′⟩)k(1 + \langle x, x'\rangle)^k(1+⟨x,x′⟩)k as a sum over index vectors, packaged as an inner product in the Euclidean space indexed by {0,…,n}k\{0, \dots, n\}^k{0,…,n}k. Example 16.2 needs the summability of xn(x′)n/n!x^n(x')^n/n!xn(x′)n/n! and the exponential series, and, for the general Gaussian kernel, either an explicit construction or Lemma 16.2 together with the positive semidefiniteness of the Gaussian Gram matrix. Lemma 16.2 in the nontrivial direction is the construction of the reproducing kernel Hilbert space: the pre-Hilbert space of finite combinations of the functions K(⋅,x)K(\cdot, x)K(⋅,x), the inner product defined through KKK, its well-definedness and positive definiteness from the Gram matrices, and the completion, which Mathlib provides for inner product spaces. Lemma 16.3 is an induction on ttt with the identity ⟨w(t),ψ(xi)⟩=∑jαj(t)K(xj,xi)\langle w^{(t)}, \psi(x_i)\rangle = \sum_j\alpha^{(t)}_jK(x_j, x_i)⟨w(t),ψ(xi​)⟩=∑j​αj(t)​K(xj​,xi​). Exercise 16.3 combines the representer theorem with the identity between the two objectives on the span and the first-order condition for a convex quadratic; Exercise 16.4 needs a feature map such as ψ(x)=(1[1≤j≤x])j\psi(x) = (\mathbb{1}[1 \le j \le x])_jψ(x)=(1[1≤j≤x])j​, or the positive semidefiniteness of the min matrix.

Formalization scope

Hilbert spaces are real, complete inner product spaces; the existential in IsKernel ranges over Hilbert spaces in the universe of the domain, which the reproducing kernel construction respects. The objective (16.2) has real-valued fff, so the hard-SVM instance with f∈{0,∞}f \in \{0, \infty\}f∈{0,∞} is not covered by the representer item as stated. The SGD procedures are deterministic given the index sequence; the random choice of indices is not modelled, exactly as in Lemma 16.3's proof. The string kernel of §16.2.1 and Exercise 16.1, the kernelized Perceptron (Exercise 16.2), Exercise 16.5 and part (2) of Exercise 16.6 are not stated.

Trivializing readings are excluded: the representer theorem asserts optimality against every www, Lemma 16.2 is a biconditional with symmetry assumed as the book does, and the kernels of the examples are exhibited with explicit feature spaces where the book gives them. Welcome contributions: the orthogonal decomposition against a finite span, the multinomial identity of Example 16.1, and the reproducing kernel Hilbert space construction behind Lemma 16.2.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 16. doi:10.1017/CBO9781107298019
  • B. Schölkopf, R. Herbrich, A. J. Smola, A generalized representer theorem, Proceedings of COLT, 2001. doi:10.1007/3-540-44581-1_27
  • N. Aronszajn, Theory of reproducing kernels, Transactions of the American Mathematical Society 68(3), 1950. doi:10.1090/S0002-9947-1950-0051437-7
  • B. Schölkopf, A. J. Smola, Learning with Kernels, MIT Press, 2002.
  • M. A. Aizerman, E. M. Braverman, L. I. Rozonoer, Theoretical foundations of the potential function method in pattern recognition learning, Automation and Remote Control 25, 1964.
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CombinatoricsMachine LearningOptimization·Captain: naimengye

Understanding Machine Learning XIII: Multiclass Prediction and RankingTextbook

Motivation

Binary classification is the exception in practice; most prediction tasks have many labels, a structured label space, or ask for a ranking. Chapter 17 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019) extends linear predictors to these settings through one idea: a class-sensitive feature mapping Ψ(x,y)\Psi(x, y)Ψ(x,y) that scores a candidate label, with the prediction hw(x)=argmax⁡y⟨w,Ψ(x,y)⟩h_w(x) = \operatorname{argmax}_y \langle w, \Psi(x, y)\ranglehw​(x)=argmaxy​⟨w,Ψ(x,y)⟩. A cost-sensitive loss Δ(y′,y)\Delta(y', y)Δ(y′,y) replaces the 0–1 loss, and the generalized hinge loss (17.3), max⁡y′(Δ(y′,y)+⟨w,Ψ(x,y′)−Ψ(x,y)⟩)\max_{y'}(\Delta(y', y) + \langle w, \Psi(x, y') - \Psi(x, y)\rangle)maxy′​(Δ(y′,y)+⟨w,Ψ(x,y′)−Ψ(x,y)⟩), is its convex surrogate: it upper bounds Δ(hw(x),y)\Delta(h_w(x), y)Δ(hw​(x),y), is tight under margin, and is convex and Lipschitz in www. Multiclass SVM is then regularized loss minimization for this loss, and Corollaries 17.1 and 17.2 transfer the guarantees of Chapters 13 and 14 with no dependence on the number of labels. The same construction handles ranking: a linear ranking predictor scores each item, the Kendall tau loss has a pairwise hinge surrogate, and the NDCG surrogate reduces to an assignment problem whose linear relaxation is exact by the Birkhoff–von Neumann theorem (Claim 17.3, Lemma 17.4).

Setting

Labels form a finite nonempty type YYY; the feature mapping takes values in Rd\mathbb{R}^dRd as in Mission VI, and the RLM rule and the SGD of Chapters 13 and 14 are those of Missions IX and X. An argmax predictor for (Ψ,w)(\Psi, w)(Ψ,w) is any hhh with h(x)h(x)h(x) maximizing ⟨w,Ψ(x,y)⟩\langle w, \Psi(x, y)\rangle⟨w,Ψ(x,y)⟩; a canonical one is fixed by choosing among the maximizers, and likewise a canonical maximizer y^\hat yy^​ in the generalized hinge loss, which gives the SGD direction Ψ(x,y^)−Ψ(x,y)\Psi(x, \hat y) - \Psi(x, y)Ψ(x,y^​)−Ψ(x,y). The cost Δ\DeltaΔ is nonnegative with Δ(y,y)=0\Delta(y, y) = 0Δ(y,y)=0. For ranking, an example is a list x1,…,xrx_1, \dots, x_rx1​,…,xr​ of instances with a score vector y∈Rry \in \mathbb{R}^ry∈Rr; the linear predictor is (⟨w,xi⟩)i(\langle w, x_i\rangle)_i(⟨w,xi​⟩)i​, the Kendall tau loss is the fraction of pairs ordered differently, using the three-valued real sign, and permutations of [r][r][r] are Mathlib's permutations of Fin r, with doubly stochastic and permutation matrices from Mathlib.

Formalization targets

Goal: Corollary 17.1

For DDD over X×YX \times YX×Y, ∥Ψ(x,y)∥≤ρ/2\|\Psi(x, y)\| \le \rho/2∥Ψ(x,y)∥≤ρ/2, B>0B > 0B>0, and the Multiclass SVM learner with λ=2ρ2/(B2m)\lambda = \sqrt{2\rho^2/(B^2 m)}λ=2ρ2/(B2m)​: ES[LDΔ(hw)]≤ES[LDg-hinge(w)]\mathbb{E}_S[L^\Delta_D(h_w)] \le \mathbb{E}_S[L^{g\text{-}hinge}_D(w)]ES​[LDΔ​(hw​)]≤ES​[LDg-hinge​(w)], and for every uuu with ∥u∥≤B\|u\| \le B∥u∥≤B, ES[LDg-hinge(w)]≤LDg-hinge(u)+8ρ2B2/m\mathbb{E}_S[L^{g\text{-}hinge}_D(w)] \le L^{g\text{-}hinge}_D(u) + \sqrt{8\rho^2B^2/m}ES​[LDg-hinge​(w)]≤LDg-hinge​(u)+8ρ2B2/m​.

Milestones

Equation (17.3). The generalized hinge loss bounds Δ(hw(x),y)\Delta(h_w(x), y)Δ(hw​(x),y) for every argmax predictor, equals it under the margin condition, and is convex and ρ\rhoρ-Lipschitz in www with ρ=max⁡y′∥Ψ(x,y′)−Ψ(x,y)∥\rho = \max_{y'}\|\Psi(x, y') - \Psi(x, y)\|ρ=maxy′​∥Ψ(x,y′)−Ψ(x,y)∥.

Corollary 17.2. SGD for multiclass learning with T≥B2ρ2/ϵ2T \ge B^2\rho^2/\epsilon^2T≥B2ρ2/ϵ2 examples has E[LDΔ(hwˉ)]≤E[LDg-hinge(wˉ)]≤LDg-hinge(u)+ϵ\mathbb{E}[L^\Delta_D(h_{\bar w})] \le \mathbb{E}[L^{g\text{-}hinge}_D(\bar w)] \le L^{g\text{-}hinge}_D(u) + \epsilonE[LDΔ​(hwˉ​)]≤E[LDg-hinge​(wˉ)]≤LDg-hinge​(u)+ϵ for every ∥u∥≤B\|u\| \le B∥u∥≤B.

Equation (17.7). The permutation induced by sorting yyy maximizes ∑iviyi\sum_i v_i y_i∑i​vi​yi​ over permutation vectors (the rearrangement inequality).

Claim 17.3. The doubly stochastic matrices are the convex hull of the permutation matrices.

Lemma 17.4. The assignment LP over doubly stochastic matrices has an optimal solution that is a permutation matrix.

Further items: Remark 17.2 (the binary case recovers the hinge loss) and the Kendall tau surrogate of §17.4.1 with its convexity and Lipschitz constant.

Significance

The generalized hinge loss is the device that lets the whole convex-learning machinery of Part II run on arbitrary finite label sets and on structured outputs, and Remark 17.3's observation that the bounds of Corollaries 17.1 and 17.2 do not depend on ∣Y∣|Y|∣Y∣ is what makes structured prediction (§17.3) and ranking with exponentially many labelings feasible. The ranking half of the chapter shows the pattern at work: the induced permutation is an argmax over a combinatorial set (17.7), so the NDCG loss admits a generalized hinge surrogate, and its subgradient is an assignment problem, solvable by the Hungarian method or, thanks to Birkhoff–von Neumann, by linear programming.

Nothing here is machine-checked except that Mathlib contains the Birkhoff–von Neumann theorem, which the corresponding item restates in the book's form. The statements are faithful with the clarifications that ties are broken canonically, that the Kendall tau surrogate is stated for tie-free score vectors (the book's rewriting of the pairwise indicator assumes sign⁡(yi−yj)≠0\operatorname{sign}(y_i - y_j) \ne 0sign(yi​−yj​)=0), and that Corollary 17.1 is stated with the measurability conventions of Mission IX.

Difficulty

Remark 17.2 is a two-element maximum and the entry point, and Equation (17.7) is Mathlib's rearrangement inequality for monovarying functions. The properties of the generalized hinge loss are elementary: the bound by choosing y′=hw(x)y' = h_w(x)y′=hw​(x), the equality by showing every term is at most 000 and the term y′=yy' = yy′=y is 000, convexity as a maximum of affine functions, and the Lipschitz bound by Cauchy–Schwarz on each term. Corollary 17.1 is Mission IX's Corollary 13.9 for the generalized hinge loss, which requires verifying convexity, the ρ\rhoρ-Lipschitz property from ∥Ψ∥≤ρ/2\|\Psi\| \le \rho/2∥Ψ∥≤ρ/2, nonnegativity and boundedness at the origin (by max⁡Δ\max\DeltamaxΔ, finite), the measurability of the loss and of the canonical argmax predictor as functions of (w,x)(w, x)(w,x), and the pointwise comparison with the Δ\DeltaΔ-loss; Corollary 17.2 is the same with Mission X's Corollary 14.12 and Claim 14.6 for the subgradient. The Kendall tau surrogate is the pairwise hinge bound under no ties, plus the convexity and Lipschitz constant of an average of hinge terms. Lemma 17.4 follows from Birkhoff–von Neumann by the averaging argument of the book, or directly from the finiteness of the permutation matrices together with the fact that a linear function on a convex hull is minimized at an extreme point.

Formalization scope

The label set is finite, so maxima over YYY are attained and the losses are well defined; maximizers are chosen canonically, and every statement about argmax predictors holds for any choice. The multivector and TF-IDF constructions of §17.2.1, the reductions of §17.1, structured output prediction (§17.3), the NDCG loss and its surrogate (17.8), and bipartite ranking (§17.5) are not stated; the NDCG construction would need the sorting permutation and the discount function and is left for a later revision. Exercises are not stated except 17.4 through Equation (17.7).

Trivializing readings are excluded: the Δ\DeltaΔ-risk in Corollaries 17.1 and 17.2 is that of a genuine argmax predictor, the Lipschitz constants are the book's, and the assignment lemma asserts optimality against every doubly stochastic matrix. Welcome contributions: the Lipschitz constant of a maximum of affine functions, the measurability of a canonical argmax over a finite label set, and the extreme-point argument of Lemma 17.4.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 17. doi:10.1017/CBO9781107298019
  • K. Crammer, Y. Singer, On the algorithmic implementation of multiclass kernel-based vector machines, Journal of Machine Learning Research 2, 2001.
  • I. Tsochantaridis, T. Joachims, T. Hofmann, Y. Altun, Large margin methods for structured and interdependent output variables, Journal of Machine Learning Research 6, 2005.
  • G. Birkhoff, Tres observaciones sobre el algebra lineal, Universidad Nacional de Tucumán, Revista A 5, 1946.
  • H. W. Kuhn, The Hungarian method for the assignment problem, Naval Research Logistics Quarterly 2, 1955. doi:10.1002/nav.3800020109
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Machine LearningProbabilityStatistics·Captain: naimengye

Understanding Machine Learning XIV: Nearest NeighborTextbook

Motivation

Every learning paradigm of the book so far, ERM, SRM, MDL, RLM, is defined by a hypothesis class: the learner searches a predefined set of functions. Nearest Neighbor is the first method that is not. It memorizes the training set and labels a new point by the labels of its closest neighbors, on the assumption that the features are relevant to the labels in a way that makes close-by points likely to share a label. Chapter 19 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019), makes that assumption precise, a Lipschitz conditional probability, and proves a finite-sample guarantee: the expected error of the 1-NN rule on mmm examples is at most twice the Bayes error plus 4cd m−1/(d+1)4c\sqrt d\, m^{-1/(d+1)}4cd​m−1/(d+1) (Theorem 19.3). The classical results of Cover and Hart (1967) and Stone (1977) are asymptotic; the book insists, as it did in §7.4, on a bound that says what a finite sample buys under an explicit prior assumption. The chapter also proves that the exponential dependence on the dimension is not an artifact (Theorem 19.4, the curse of dimensionality) and, in its exercises, extends the analysis to the kkk-NN rule, whose error converges to (1+8/k)(1 + \sqrt{8/k})(1+8/k​) times the Bayes error (Theorem 19.5).

Setting

The instance domain XXX carries a metric ρ\rhoρ; for the analysis X=[0,1]dX = [0,1]^dX=[0,1]d with the Euclidean distance and Y={0,1}Y = \{0,1\}Y={0,1} with the 0–1 loss. For a sample S=(x1,y1),…,(xm,ym)S = (x_1, y_1), \dots, (x_m, y_m)S=(x1​,y1​),…,(xm​,ym​) and a point xxx, let π1(x),…,πm(x)\pi_1(x), \dots, \pi_m(x)π1​(x),…,πm​(x) reorder the sample by distance to xxx. The kkk-NN rule returns the majority label among yπ1(x),…,yπk(x)y_{\pi_1(x)}, \dots, y_{\pi_k(x)}yπ1​(x)​,…,yπk​(x)​; the 1-NN rule is hS(x)=yπ1(x)h_S(x) = y_{\pi_1(x)}hS​(x)=yπ1​(x)​; in general, for φ:(X×Y)k→Y\varphi : (X \times Y)^k \to Yφ:(X×Y)k→Y, the kkk-NN rule with respect to φ\varphiφ is hS(x)=φ((xπ1(x),yπ1(x)),…,(xπk(x),yπk(x)))h_S(x) = \varphi\big((x_{\pi_1(x)}, y_{\pi_1(x)}), \dots, (x_{\pi_k(x)}, y_{\pi_k(x)})\big)hS​(x)=φ((xπ1​(x)​,yπ1​(x)​),…,(xπk​(x)​,yπk​(x)​)) (19.1).

A distribution DDD over X×YX \times YX×Y has marginal DXD_XDX​ and conditional probability η(x)=P[y=1∣x]\eta(x) = P[y = 1 \mid x]η(x)=P[y=1∣x]; the Bayes optimal rule is h⋆(x)=1[η(x)>1/2]h^\star(x) = \mathbb{1}[\eta(x) > 1/2]h⋆(x)=1[η(x)>1/2], and the standing assumption is that η\etaη is ccc-Lipschitz: ∣η(x)−η(x′)∣≤c∥x−x′∥|\eta(x) - \eta(x')| \le c\|x - x'\|∣η(x)−η(x′)∣≤c∥x−x′∥. In the formalization a distribution with conditional probability η\etaη is written condLaw DX η: draw x∼DXx \sim D_Xx∼DX​, then y∼Bernoulli(η(x))y \sim \mathrm{Bernoulli}(\eta(x))y∼Bernoulli(η(x)). Every distribution with a regression function is of this form, so nothing is lost.

Formalization targets

Goal: Theorem 19.3

For X=[0,1]dX = [0,1]^dX=[0,1]d, Y={0,1}Y = \{0,1\}Y={0,1}, a distribution DDD over X×YX \times YX×Y whose conditional probability η\etaη is ccc-Lipschitz, and hSh_ShS​ the result of the 1-NN rule on S∼DmS \sim D^mS∼Dm,

ES∼Dm[LD(hS)]≤2LD(h⋆)+4cd m−1d+1.\mathbb{E}_{S \sim D^m}[L_D(h_S)] \le 2L_D(h^\star) + 4c\sqrt d\, m^{-\frac{1}{d+1}}.ES∼Dm​[LD​(hS​)]≤2LD​(h⋆)+4cd​m−d+11​.

Milestones

Lemma 19.1 (the Lipschitz reduction: ES[LD(hS)]≤2LD(h⋆)+c ES,x∥x−xπ1(x)∥\mathbb{E}_S[L_D(h_S)] \le 2L_D(h^\star) + c\,\mathbb{E}_{S,x}\|x - x_{\pi_1(x)}\|ES​[LD​(hS​)]≤2LD​(h⋆)+cES,x​∥x−xπ1​(x)​∥); Lemma 19.2 (the expected mass of the sets among C1,…,CrC_1, \dots, C_rC1​,…,Cr​ missed by an i.i.d. sample of size mmm is at most r/(me)r/(me)r/(me)); Theorem 19.4 (for integer c≥2c \ge 2c≥2 and every learning rule there is a distribution with ccc-Lipschitz η\etaη and Bayes error 000 on which the rule's expected error is at least 1/41/41/4 whenever 2m≤(c+1)d2m \le (c+1)^d2m≤(c+1)d); Lemma 19.7 (the majority of k≥10k \ge 10k≥10 independent Bernoulli labels errs, against a label drawn from their mean ppp, at most (1+8/k)(1 + \sqrt{8/k})(1+8/k​) times as often as 1[p>1/2]\mathbb{1}[p > 1/2]1[p>1/2]); Theorem 19.5 (the kkk-NN bound ES[LD(hS)]≤(1+8/k)LD(h⋆)+(6cd+k)m−1/(d+1)\mathbb{E}_S[L_D(h_S)] \le (1 + \sqrt{8/k})L_D(h^\star) + (6c\sqrt d + k)m^{-1/(d+1)}ES​[LD​(hS​)]≤(1+8/k​)LD​(h⋆)+(6cd​+k)m−1/(d+1)). Lemma 19.6, the kkk-fold version of Lemma 19.2 with bound 2rk/m2rk/m2rk/m, is a further item.

Significance

Theorem 19.3 is the book's answer to the question it raised in §7.4: consistency results say that the 1-NN error converges to twice the Bayes error, but not how fast, and the rate necessarily depends on the distribution. The Lipschitz constant ccc and the dimension ddd are exactly the prior knowledge the rule relies on, and Theorem 19.4 shows through the No-Free-Lunch theorem that a sample of size exponential in ddd is genuinely required for some distributions in the class. Theorem 19.5 quantifies what larger kkk buys, the factor 222 improving to 1+8/k1 + \sqrt{8/k}1+8/k​, at the price of the additive term growing linearly in kkk. On the platform, this mission introduces the conditional-probability model of a distribution over X×{0,1}X \times \{0,1\}X×{0,1} and the Bayes rule, which Chapters 24 (generative models) and the nonparametric parts of the book use again, and the box-cover argument of Lemma 19.2, a small combinatorial-probability tool of independent use.

Difficulty

Lemma 19.1 is a computation once the expectation over SSS and (x,y)(x, y)(x,y) is decomposed as the book does: sample the unlabeled points first, find the nearest neighbor, then draw the two labels; the identity P[y≠y′]=2η(x)(1−η(x))+(η(x)−η(x′))(2η(x)−1)P[y \ne y'] = 2\eta(x)(1 - \eta(x)) + (\eta(x) - \eta(x'))(2\eta(x) - 1)P[y=y′]=2η(x)(1−η(x))+(η(x)−η(x′))(2η(x)−1) and LD(h⋆)=Exmin⁡{η,1−η}≥Ex η(1−η)L_D(h^\star) = \mathbb{E}_x\min\{\eta, 1 - \eta\} \ge \mathbb{E}_x\,\eta(1 - \eta)LD​(h⋆)=Ex​min{η,1−η}≥Ex​η(1−η) finish it. Formally the work is in the decomposition itself, which is Fubini for condLaw and the product law, and in the measurability of the rule, which the statement assumes. Lemma 19.2 is E[1[Ci∩S=∅]]=(1−P[Ci])m≤e−P[Ci]m\mathbb{E}[\mathbb{1}[C_i \cap S = \emptyset]] = (1 - P[C_i])^m \le e^{-P[C_i]m}E[1[Ci​∩S=∅]]=(1−P[Ci​])m≤e−P[Ci​]m and max⁡aae−ma≤1/(me)\max_a ae^{-ma} \le 1/(me)maxa​ae−ma≤1/(me). Theorem 19.3 covers the cube by boxes of side ε\varepsilonε, applies Lemma 19.2 to the boxes and sets ε=2m−1/(d+1)\varepsilon = 2m^{-1/(d+1)}ε=2m−1/(d+1); a formal proof must handle 1/ε1/\varepsilon1/ε not being an integer (take T=⌈1/ε⌉T = \lceil 1/\varepsilon \rceilT=⌈1/ε⌉ boxes per side, so r≤(2/ε)dr \le (2/\varepsilon)^dr≤(2/ε)d when ε≤1\varepsilon \le 1ε≤1, which is what the book's 2dε−d2^d\varepsilon^{-d}2dε−d already allows for) and the regime m<2d+1m < 2^{d+1}m<2d+1, where the trivial bound E∥x−xπ1(x)∥≤d\mathbb{E}\|x - x_{\pi_1(x)}\| \le \sqrt dE∥x−xπ1​(x)​∥≤d​ suffices. Theorem 19.4 is the No-Free-Lunch theorem on the grid of spacing 1/c1/c1/c, plus the observation that any {0,1}\{0,1\}{0,1}-valued function on the grid extends to a ccc-Lipschitz [0,1][0,1][0,1]-valued function on the cube (McShane). Lemma 19.6 is Chernoff's bound below the mean; Lemma 19.7 is the delicate one: Chernoff with the function h(a)=(1+a)log⁡(1+a)−ah(a) = (1 + a)\log(1 + a) - ah(a)=(1+a)log(1+a)−a and the inequality (1−2p)e−kp+k2(log⁡(2p)+1)≤8/k p(1 - 2p)e^{-kp + \frac k2(\log(2p) + 1)} \le \sqrt{8/k}\,p(1−2p)e−kp+2k​(log(2p)+1)≤8/k​p for p∈[0,1/2]p \in [0, 1/2]p∈[0,1/2], k≥10k \ge 10k≥10, which the book states without proof. Theorem 19.5 assembles Lemmas 19.6 and 19.7 along the four steps of Exercise 4; to reach the book's constants with an integer number of boxes one takes T=⌈m1/(d+1)/2.07⌉T = \lceil m^{1/(d+1)}/2.07 \rceilT=⌈m1/(d+1)/2.07⌉ boxes per side and Chernoff at δ=1/3\delta = 1/3δ=1/3 in Lemma 19.6, or notes that the bound is trivial unless m1/(d+1)>6cd+km^{1/(d+1)} > 6c\sqrt d + km1/(d+1)>6cd​+k.

Formalization scope

Labels are Bool; bernoulliLaw p is the Bernoulli law on Bool, condLaw DX η the distribution with marginal DX and conditional probability η, and bayesRule η the Bayes rule. The cube is the subtype cube d of EuclideanSpace ℝ (Fin d), so its metric is Euclidean and its Borel structure is inherited; the Lipschitz hypothesis is LipschitzWith c η with c : ℝ≥0, together with η x ∈ [0,1] (a conditional probability). A kkk-NN rule is a learner h with IsKNNRuleWith k φ h: for every sample of size m≥km \ge km≥k and every xxx there is some reordering of the sample by distance to xxx whose first kkk entries feed φ\varphiφ; ties are therefore broken arbitrarily, and the theorems hold for every choice. Majority votes predict 111 iff strictly more than half of the kkk labels are 111, the book's 1[p′>1/2]\mathbb{1}[p' > 1/2]1[p′>1/2] of Lemma 19.7. The nearest-neighbor distance is nnDist S x = ⨅ i, dist x (S i).1. Expectations over S∼DmS \sim D^mS∼Dm are Bochner integrals against iidLaw D m (Mission I), and the expectation statements assume the rule is measurable in (S,x)(S, x)(S,x), the book's Remark 3.1; without it the integrals would be junk. Lemmas 19.2 and 19.6 are stated for arbitrary measurable subsets of an arbitrary measurable space, as in the book, with m≥1m \ge 1m≥1 (for m=0m = 0m=0 the left side is ∑iP[Ci]\sum_i P[C_i]∑i​P[Ci​] while Lean reads r/(0⋅e)r/(0 \cdot e)r/(0⋅e) as 000). Lemma 19.7 uses the product of Bernoulli laws on Fin k → Bool.

Two statements are given as their proofs support them, and the deviations are recorded in the item texts. Theorem 19.4 takes c≥2c \ge 2c≥2 an integer (the grid has spacing 1/c1/c1/c), fixes mmm with 2m≤(c+1)d2m \le (c+1)^d2m≤(c+1)d before choosing the distribution (Theorem 5.1 produces a distribution per mmm), and concludes that the expected true error is at least 1/41/41/4 (Equation (5.2) in the proof of Theorem 5.1; the book's "greater than 1/41/41/4" is what its proof gives for 2m<(c+1)d2m < (c+1)^d2m<(c+1)d only in the form of that expectation). Theorem 19.5 keeps the book's constants; the drafter checked that they are reachable with an integer number of boxes. Not stated: the general weighted-average rules of §19.1 beyond (19.1), the efficient implementation of §19.3, Exercise 3 (a one-line inequality, absorbed into the proof of Theorem 19.5).

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 19. doi:10.1017/CBO9781107298019
  • T. Cover, P. Hart, Nearest neighbor pattern classification, IEEE Transactions on Information Theory 13(1), 1967. doi:10.1109/TIT.1967.1053964
  • C. J. Stone, Consistent nonparametric regression, Annals of Statistics 5(4), 1977. doi:10.1214/aos/1176343886
  • L. Devroye, L. Györfi, G. Lugosi, A Probabilistic Theory of Pattern Recognition, Springer, 1996. doi:10.1007/978-1-4612-0711-5
  • L.-A. Gottlieb, A. Kontorovich, R. Krauthgamer, Efficient classification for metric data, COLT 2010; IEEE Transactions on Information Theory 60(9), 2014. doi:10.1109/TIT.2014.2339840
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Understanding Machine Learning XV: Neural NetworksTextbook

Motivation

A feedforward neural network is a directed acyclic graph of neurons, each computing a fixed scalar activation of a weighted sum of its inputs; fixing the graph and the activation and letting the weights vary gives a hypothesis class. Chapter 20 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019), studies these classes through the book's three lenses. Approximation: every Boolean function is implemented by a network of depth 2 (Claim 20.1), but only at exponential size (Theorem 20.2), while a sign neuron implements conjunctions and disjunctions (Lemma 20.4), the bridge to Boolean circuits and hence to everything computable in bounded time. Estimation: the VC dimension of the class of sign networks over a graph with ∣E∣|E|∣E∣ edges is O(∣E∣log⁡∣E∣)O(|E|\log|E|)O(∣E∣log∣E∣) (Theorem 20.6), so the sample complexity is governed by the number of weights. Optimization: training is NP-hard even for tiny networks, and the practical answer is SGD with the gradient computed by backpropagation, whose correctness the chapter derives from the chain rule.

Setting

A layered graph has layers V0,…,VTV_0, \dots, V_TV0​,…,VT​, every edge joining Vt−1V_{t-1}Vt−1​ to VtV_tVt​; V0V_0V0​ holds the nnn inputs and a constant neuron outputting 111. With weights w:E→Rw : E \to \mathbb{R}w:E→R and an activation σ\sigmaσ, the outputs are computed layer by layer, at+1,i=∑j:(vt,j,vt+1,i)∈Ewt,i,j ot,ja_{t+1,i} = \sum_{j : (v_{t,j}, v_{t+1,i}) \in E} w_{t,i,j}\,o_{t,j}at+1,i​=∑j:(vt,j​,vt+1,i​)∈E​wt,i,j​ot,j​ and ot+1,i=σ(at+1,i)o_{t+1,i} = \sigma(a_{t+1,i})ot+1,i​=σ(at+1,i​). The class HV,E,σ={hV,E,σ,w:w:E→R}H_{V,E,\sigma} = \{h_{V,E,\sigma,w} : w : E \to \mathbb{R}\}HV,E,σ​={hV,E,σ,w​:w:E→R} (20.1); for binary classification the output layer is a single neuron and σ\sigmaσ is the sign function, so HV,E,sign⁡H_{V,E,\operatorname{sign}}HV,E,sign​ is a set of {±1}\{\pm1\}{±1}-valued predictors on Rn\mathbb{R}^nRn. The size of the network is ∣V∣|V|∣V∣, its depth TTT. The growth function τH(m)=max⁡∣C∣≤m∣HC∣\tau_H(m) = \max_{|C| \le m}|H_C|τH​(m)=max∣C∣≤m​∣HC​∣ extends to classes with any finite codomain (p. 275), and the proof of Theorem 20.6 uses two of its properties, stated as Exercises 3 and 4: the growth function of a product class is at most the product of the growth functions, and likewise for a composition class. For backpropagation the activation is any differentiable σ\sigmaσ and the loss is 12∥oT−y∥2\frac12\|o_T - y\|^221​∥oT​−y∥2; the backward pass sets δT=oT−y\delta_T = o_T - yδT​=oT​−y and δt=δt+1diag⁡(σ′(at+1))Wt\delta_t = \delta_{t+1}\operatorname{diag}(\sigma'(a_{t+1}))W_tδt​=δt+1​diag(σ′(at+1​))Wt​.

Formalization targets

Goal: Theorem 20.6

The VC dimension of HV,E,sign⁡H_{V,E,\operatorname{sign}}HV,E,sign​ is O(∣E∣log⁡∣E∣)O(|E|\log|E|)O(∣E∣log∣E∣). Explicitly, for a layered graph of depth at least 111 with a single output neuron,

VCdim⁡(HV,E,sign⁡)≤2∣E∣log⁡2(16∣E∣),\operatorname{VCdim}(H_{V,E,\operatorname{sign}}) \le 2|E|\log_2(16|E|),VCdim(HV,E,sign​)≤2∣E∣log2​(16∣E∣),

stated as: every m≤VCdim⁡m \le \operatorname{VCdim}m≤VCdim satisfies this bound (so the VC dimension is finite).

Milestones

Claim 20.1 (the depth-2 graph with ∣V1∣=2n+1|V_1| = 2^n + 1∣V1​∣=2n+1 whose sign class contains every function {±1}n→{±1}\{\pm1\}^n \to \{\pm1\}{±1}n→{±1}); Theorem 20.2 (every sign network implementing all functions {0,1}n→{0,1}\{0,1\}^n \to \{0,1\}{0,1}n→{0,1} has 2n/3≤2∣V∣2^{n/3} \le 2|V|2n/3≤2∣V∣); Lemma 20.4 (conjunction and disjunction as sign neurons); Exercise 4 (growth function of a composition); the correctness of backpropagation (§20.6: the partial derivative for the edge (vt,j,vt+1,i)(v_{t,j}, v_{t+1,i})(vt,j​,vt+1,i​) is δt+1,iσ′(at+1,i)ot,j\delta_{t+1,i}\sigma'(a_{t+1,i})o_{t,j}δt+1,i​σ′(at+1,i​)ot,j​). Further items: Exercise 3 (growth function of a product) and the intermediate bound τH(m)≤(em)∣E∣\tau_H(m) \le (em)^{|E|}τH​(m)≤(em)∣E∣ of the proof of Theorem 20.6.

Significance

Theorem 20.6 is the reason networks are learnable at all in the book's sense: by the fundamental theorem, a class with finite VC dimension is agnostic PAC learnable with sample complexity linear in that dimension, and here the dimension is essentially the number of tunable parameters. The proof technique, due to Kakade and Tewari's lecture notes, is a composition-and-product argument on growth functions that applies to any layered class of threshold units and is reusable well beyond this chapter. Theorem 20.2 is the matching negative fact on expressive power, and it is a corollary of the same bound: a class that shatters 2n2^n2n points needs Ω(2n)\Omega(2^n)Ω(2n) edges. Backpropagation's correctness is the one theorem about training the chapter can offer, given the hardness results, and it is the algorithm every practitioner runs.

Difficulty

Claim 20.1 and Lemma 20.4 are explicit constructions: the neuron gi(x)=sign⁡(⟨x,ui⟩−n+1)g_i(x) = \operatorname{sign}(\langle x, u_i\rangle - n + 1)gi​(x)=sign(⟨x,ui​⟩−n+1) detects x=uix = u_ix=ui​ because ⟨x,ui⟩≤n−2\langle x, u_i\rangle \le n - 2⟨x,ui​⟩≤n−2 otherwise, and the output neuron takes the disjunction; formally one must build the weight function and evaluate the forward pass on the 2n2^n2n inputs. Exercises 3 and 4 are counting: a restricted product is determined by its two restricted factors, and a restricted composition f2∘f1f_2 \circ f_1f2​∘f1​ on CCC is determined by f1∣Cf_1|_Cf1​∣C​ and f2∣f1(C)f_2|_{f_1(C)}f2​∣f1​(C)​, with ∣f1(C)∣≤∣C∣|f_1(C)| \le |C|∣f1​(C)∣≤∣C∣. Theorem 20.6 then needs: the class of one neuron is the class of homogenous halfspaces on its dt,id_{t,i}dt,i​ incoming coordinates, of VC dimension at most dt,id_{t,i}dt,i​ (Mission VI), Sauer's lemma in the form τ(m)≤(em)d\tau(m) \le (em)^{d}τ(m)≤(em)d for every m≥1m \ge 1m≥1 (Mission IV; for m≤dm \le dm≤d use 2m≤(em)m2^m \le (em)^m2m≤(em)m), the layer class as a product and the network as a composition of layer classes, and finally the arithmetic 2m≤(em)∣E∣⇒m≤2∣E∣log⁡2(16∣E∣)2^m \le (em)^{|E|} \Rightarrow m \le 2|E|\log_2(16|E|)2m≤(em)∣E∣⇒m≤2∣E∣log2​(16∣E∣), which replaces the book's appeal to Lemma A.2 (for m≥8∣E∣m \ge 8|E|m≥8∣E∣ one has ln⁡m≤mln⁡22∣E∣\ln m \le \frac{m\ln 2}{2|E|}lnm≤2∣E∣mln2​). Theorem 20.2 follows from the goal with ∣E∣≤∣V∣2|E| \le |V|^2∣E∣≤∣V∣2. Backpropagation is a chain-rule computation in a single real variable: the loss as a function of one weight is a composition of finitely many differentiable maps, and the derivative unwinds to the backward recursion; the formal effort is in the induction along layers with the natural-number indexing of the model.

Formalization scope

Layers and neurons are indexed by natural numbers: a LayeredGraph records the depth, the layer widths and, for each t<Tt < Tt<T, the finite set of edges (vt,j,vt+1,i)(v_{t,j}, v_{t+1,i})(vt,j​,vt+1,i​) as pairs (i,j)(i, j)(i,j) within the layer widths. Weights are functions on all index triples, and only those on edges are used, so the class is the image of all weight functions, as in (20.1). The forward computation netOutput is a recursion on the layer index; netInput is at+1,ia_{t+1,i}at+1,i​. The sign activation returns ±1\pm1±1 with sign⁡(0)=−1\operatorname{sign}(0) = -1sign(0)=−1, the book's convention elsewhere, and a neuron with no incoming edges outputs σ(0)\sigma(0)σ(0) (p. 270). The binary class signNetClass n G is Bool-valued, true iff the output neuron's input is positive, and is stated for graphs of depth at least 111 (for depth 000 the edges out of the input layer would be used but not counted in ∣E∣|E|∣E∣). Growth functions with finite codomain are growthY, an sSup over restriction sizes, well defined because the codomains are finite; the Bool case is Mission IV's growth, and VC dimension and shattering are Mission IV's. Theorem 20.6 and Theorem 20.2 are given with explicit constants derived from the proof, since O(⋅)O(\cdot)O(⋅) statements have no formal content; the drafter verified max⁡{m:2m≤(em)∣E∣}≤2∣E∣log⁡2(16∣E∣)\max\{m : 2^m \le (em)^{|E|}\} \le 2|E|\log_2(16|E|)max{m:2m≤(em)∣E∣}≤2∣E∣log2​(16∣E∣) numerically for ∣E∣|E|∣E∣ up to 300030003000 and at 104,…,10710^4, \dots, 10^7104,…,107, and 2n≤2∣V∣2log⁡2(16∣V∣2)≤8∣V∣32^n \le 2|V|^2\log_2(16|V|^2) \le 8|V|^32n≤2∣V∣2log2​(16∣V∣2)≤8∣V∣3. Backpropagation is stated for an arbitrary layered graph (phantom edges have weight 000, p. 279), any differentiable activation, and one edge at a time as a HasDerivAt of the loss in that weight; δt\delta_tδt​ is defined by recursion on T−tT - tT−t. The book's layer indices in (20.3) are shifted by one in the statement.

Not stated: Theorem 20.3 (Turing machines), Theorem 20.5 and Exercise 1 (sigmoid approximation, which needs a convention for outputs in [−1,1][-1,1][−1,1] that the chapter leaves open), Theorem 20.7 and Exercise 6 (NP-hardness), Exercise 5 (the Ω(∣E∣2)\Omega(|E|^2)Ω(∣E∣2) sigmoid lower bound, which assumes an exact threshold), the sigmoid half of Theorem 20.2, and the SGD pseudocode of §20.6, which is a heuristic without a stated guarantee.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 20. doi:10.1017/CBO9781107298019
  • M. Anthony, P. L. Bartlett, Neural Network Learning: Theoretical Foundations, Cambridge University Press, 1999. doi:10.1017/CBO9780511624216
  • D. E. Rumelhart, G. E. Hinton, R. J. Williams, Learning representations by back-propagating errors, Nature 323, 1986. doi:10.1038/323533a0
  • I. Parberry, Circuit Complexity and Neural Networks, MIT Press, 1994.
  • E. B. Baum, D. Haussler, What size net gives valid generalization?, Neural Computation 1(1), 1989. doi:10.1162/neco.1989.1.1.151
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Understanding Machine Learning XVI: Online LearningTextbook

Motivation

In PAC learning the learner receives a batch of examples, learns, and only then predicts. Online learning has no such separation: on each round the learner receives an instance, predicts its label, and then sees the true label, and the goal is to make few mistakes over the whole sequence, with no statistical assumption whatsoever on how the sequence is generated, adversarially if need be. Chapter 21 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019), develops this model along the same lines as the PAC theory. In the realizable case, mistake bounds replace sample complexity, and a combinatorial dimension due to Littlestone, Ldim⁡(H)\operatorname{Ldim}(H)Ldim(H), characterizes the best achievable bound exactly (Lemmas 21.6 and 21.7), playing the role the VC dimension plays for PAC learning, with VCdim⁡(H)≤Ldim⁡(H)\operatorname{VCdim}(H) \le \operatorname{Ldim}(H)VCdim(H)≤Ldim(H) and an arbitrarily large gap (Theorem 21.9). In the unrealizable case regret replaces excess risk; deterministic learners can be forced to regret T/2T/2T/2 (Cover), but randomized predictions restore sublinear regret through the Weighted-Majority algorithm of Littlestone, Warmuth and Vovk (Theorem 21.11). The chapter closes with online convex optimization, where Online Gradient Descent (Zinkevich) attains regret O(T)O(\sqrt T)O(T​) (Theorem 21.15), and with the online Perceptron, whose mistake bound follows from a round-specific surrogate loss (Theorem 21.16).

Setting

An online algorithm is a deterministic map from the history of past examples and the current instance to a prediction. For a sequence SSS labeled by some h⋆∈Hh^\star \in Hh⋆∈H, MA(S)M_A(S)MA​(S) is the number of mistakes and MA(H)M_A(H)MA​(H) the supremum over all such sequences (Definition 21.1). The Consistent algorithm predicts with any hypothesis of the version space VtV_tVt​ (the hypotheses consistent with the past), Halving with its majority label, and SOA with the label rrr for which {h∈Vt:h(xt)=r}\{h \in V_t : h(x_t) = r\}{h∈Vt​:h(xt​)=r} has the larger Littlestone dimension, ties to 111. An HHH-shattered tree of depth ddd assigns an instance to every node of a complete binary tree so that every labeling (y1,…,yd)(y_1, \dots, y_d)(y1​,…,yd​) is realized by some h∈Hh \in Hh∈H along the path it determines; Ldim⁡(H)\operatorname{Ldim}(H)Ldim(H) is the maximal such depth (Definitions 21.4–21.5). In the unrealizable case predictions are pt∈[0,1]p_t \in [0,1]pt​∈[0,1], the loss is ∣pt−yt∣|p_t - y_t|∣pt​−yt​∣, and the regret against hhh is ∑t∣pt−yt∣−∑t∣h(xt)−yt∣\sum_t |p_t - y_t| - \sum_t |h(x_t) - y_t|∑t​∣pt​−yt​∣−∑t​∣h(xt​)−yt​∣ (21.1). Weighted-Majority maintains wi(t)∝exp⁡(−η∑s<tvs,i)w^{(t)}_i \propto \exp(-\eta\sum_{s<t} v_{s,i})wi(t)​∝exp(−η∑s<t​vs,i​) over ddd experts with costs vt∈[0,1]dv_t \in [0,1]^dvt​∈[0,1]d and pays ⟨w(t),vt⟩\langle w^{(t)}, v_t\rangle⟨w(t),vt​⟩. Online Gradient Descent on a closed convex HHH predicts w(t)w^{(t)}w(t), receives a convex ftf_tft​, takes a subgradient vtv_tvt​ at w(t)w^{(t)}w(t) and projects w(t)−ηvtw^{(t)} - \eta v_tw(t)−ηvt​ back onto HHH; the online Perceptron is the special case w(t+1)=w(t)+ytxtw^{(t+1)} = w^{(t)} + y_t x_tw(t+1)=w(t)+yt​xt​ on rounds with yt⟨w(t),xt⟩≤0y_t\langle w^{(t)}, x_t\rangle \le 0yt​⟨w(t),xt​⟩≤0.

Formalization targets

Goal: Theorem 21.11

For d≥1d \ge 1d≥1 experts, cost vectors vt∈[0,1]dv_t \in [0,1]^dvt​∈[0,1]d, T>2log⁡dT > 2\log dT>2logd and η=2log⁡(d)/T\eta = \sqrt{2\log(d)/T}η=2log(d)/T​,

∑t=1T⟨w(t),vt⟩−min⁡i∈[d]∑t=1Tvt,i≤2log⁡(d) T.\sum_{t=1}^T \langle w^{(t)}, v_t\rangle - \min_{i \in [d]}\sum_{t=1}^T v_{t,i} \le \sqrt{2\log(d)\,T}.t=1∑T​⟨w(t),vt​⟩−i∈[d]min​t=1∑T​vt,i​≤2log(d)T​.

Milestones

Theorem 21.3 (Halving makes at most log⁡2∣H∣\log_2|H|log2​∣H∣ mistakes); Lemma 21.6 (MA(H)≥Ldim⁡(H)M_A(H) \ge \operatorname{Ldim}(H)MA​(H)≥Ldim(H) for every AAA); Lemma 21.7 (MSOA(H)≤Ldim⁡(H)M_{\mathrm{SOA}}(H) \le \operatorname{Ldim}(H)MSOA​(H)≤Ldim(H)); Theorem 21.15 (the three regret bounds of Online Gradient Descent); Theorem 21.16 (the online Perceptron bound ∣M∣≤∑tft(w⋆)+R∥w⋆∥∑tft(w⋆)+R2∥w⋆∥2|M| \le \sum_t f_t(w^\star) + R\|w^\star\|\sqrt{\sum_t f_t(w^\star)} + R^2\|w^\star\|^2∣M∣≤∑t​ft​(w⋆)+R∥w⋆∥∑t​ft​(w⋆)​+R2∥w⋆∥2 and its separable case). Further items: Corollary 21.2, Theorem 21.9, Example 21.4, Cover's impossibility, Corollary 21.12 and the Ldim⁡\operatorname{Ldim}Ldim half of Theorem 21.10.

Significance

Corollary 21.8 is one of the cleanest characterizations in learning theory: the Littlestone dimension is exactly the optimal mistake bound, with SOA attaining it and Lemma 21.6 forbidding anything better. Theorem 21.11 is the engine of the unrealizable case and of a large part of online learning: the multiplicative-weights analysis with the potential log⁡Zt\log Z_tlogZt​ gives regret 2log⁡(d)T\sqrt{2\log(d)T}2log(d)T​ against the best of ddd experts, and with the experts of pp. 298–299 it yields Theorem 21.10, regret 2Ldim⁡(H)log⁡(eT) T\sqrt{2\operatorname{Ldim}(H)\log(eT)\,T}2Ldim(H)log(eT)T​ for any class of finite Littlestone dimension. Theorem 21.15 is the online counterpart of the SGD analysis of Chapter 14, and the derivation of Theorem 21.16 from it shows how a surrogate loss chosen per round turns a regret bound into a mistake bound, the Perceptron bound of Chapter 9 falling out as the separable case. On the platform, these items give the first online-learning model, reusing Mission X's subgradients and projections.

Difficulty

Corollary 21.2 and Theorem 21.3 are counting arguments on the version space, but formally they require tracking the version space along the history and the fact that a mistake by Halving halves it. Lemma 21.6 is the adversary argument: given a shattered tree, feed the instance at the current node and the label opposite to the prediction; the resulting sequence is labeled by some h∈Hh \in Hh∈H by the shattering property, and the algorithm errs on every round. Lemma 21.7 needs the combinatorial core of the chapter: if both restricted version spaces had Littlestone dimension equal to Ldim⁡(Vt)\operatorname{Ldim}(V_t)Ldim(Vt​), their shattered trees could be glued under a new root to a deeper tree. Theorem 21.9 builds a shattered tree with all nodes at depth iii equal to xix_ixi​; Example 21.4 builds the dyadic tree. Theorem 21.11's proof is the book's: e−a≤1−a+a2/2e^{-a} \le 1 - a + a^2/2e−a≤1−a+a2/2 for a≥0a \ge 0a≥0, log⁡(1−b)≤−b\log(1 - b) \le -blog(1−b)≤−b, the telescoping potential log⁡(Zt+1/Zt)\log(Z_{t+1}/Z_t)log(Zt+1​/Zt​), the lower bound log⁡ZT+1≥−ηmin⁡i∑tvt,i\log Z_{T+1} \ge -\eta\min_i\sum_t v_{t,i}logZT+1​≥−ηmini​∑t​vt,i​, and the choice of η\etaη; the hypothesis T>2log⁡dT > 2\log dT>2logd makes η<1\eta < 1η<1. Corollary 21.12 is the reduction of hypotheses to experts, and Theorem 21.10 is the expert construction with the counting bound (21.4) ∑L≤Ldim⁡(TL)≤(eT/Ldim⁡)Ldim⁡\sum_{L \le \operatorname{Ldim}} \binom{T}{L} \le (eT/\operatorname{Ldim})^{\operatorname{Ldim}}∑L≤Ldim​(LT​)≤(eT/Ldim)Ldim (Lemma A.5) and Lemma 21.13, which simulates SOA on the labels of hhh; small horizons are covered by the trivial bound regret≤T\text{regret} \le Tregret≤T. Theorem 21.15 is the telescoping argument of Lemma 14.1 with the projection lemma of Chapter 14 at every step; Theorem 21.16 applies it to ft=1[t∈M][1−yt⟨w,xt⟩]+f_t = \mathbb{1}[t \in M][1 - y_t\langle w, x_t\rangle]_+ft​=1[t∈M][1−yt​⟨w,xt​⟩]+​ with η=∥w⋆∥/(R∣M∣)\eta = \|w^\star\|/(R\sqrt{|M|})η=∥w⋆∥/(R∣M∣​) and solves the quadratic inequality (21.6).

Formalization scope

Online algorithms are deterministic functions List (X × Y) → X → Y; a sequence is Fin T-indexed and the history at round ttt is its first ttt examples. Mistake bounds and the Littlestone dimension are suprema in ℕ∞, so mistakeBound, ldim and their comparisons are meaningful when infinite. Shattered trees are indexed by paths rather than by the book's node numbers it=2t−1+∑j<tyj2t−1−ji_t = 2^{t-1} + \sum_{j<t} y_j 2^{t-1-j}it​=2t−1+∑j<t​yj​2t−1−j, whose binary expansion is exactly the path; the two descriptions are the same tree. Halving and SOA break ties towards 111 as in the book; Consistent is stated as a property of an algorithm. The unrealizable case uses real-valued predictions with the loss ∣pt−yt∣|p_t - y_t|∣pt​−yt​∣ as the book does, and the theorems of that section assert the existence of an algorithm for each horizon TTT, because Weighted-Majority takes TTT as input. Weighted-Majority's distribution is written in unrolled form, wi(t)∝exp⁡(−η∑s<tvs,i)w^{(t)}_i \propto \exp(-\eta\sum_{s<t}v_{s,i})wi(t)​∝exp(−η∑s<t​vs,i​), which is the update rule iterated from w~(1)=(1,…,1)\tilde w^{(1)} = (1, \dots, 1)w~(1)=(1,…,1). Theorem 21.10 is stated for classes with Ldim⁡(H)<∞\operatorname{Ldim}(H) < \inftyLdim(H)<∞ and in its Ldim⁡(H)log⁡(eT)\operatorname{Ldim}(H)\log(eT)Ldim(H)log(eT) form, the log⁡∣H∣\log|H|log∣H∣ form being Corollary 21.12; its lower bound, proved in Ben-David, Pál and Shalev-Shwartz (2009), is not stated. Online Gradient Descent is driven by a subgradient selector gt(w)∈∂ft(w)g_t(w) \in \partial f_t(w)gt​(w)∈∂ft​(w) (Mission X's global subgradients), from w(0)=0w^{(0)} = 0w(0)=0, on a closed convex HHH containing the comparator; the Lipschitz parts take LipschitzWith ρ (f t) and T≥1T \ge 1T≥1. The Perceptron's MMM is the set of update rounds yt⟨w(t),xt⟩≤0y_t\langle w^{(t)}, x_t\rangle \le 0yt​⟨w(t),xt​⟩≤0, which contains every prediction mistake whatever sign⁡(0)\operatorname{sign}(0)sign(0) is and is the set the book's derivation actually uses; RRR is any bound on ∥xt∥\|x_t\|∥xt​∥ for t<Tt < Tt<T. Cover's impossibility is stated for deterministic {0,1}\{0,1\}{0,1}-valued algorithms, the setting in which the book states it.

Not stated: the Doubling Trick (Exercise 4), Exercises 1–3 (specific tight examples), the SOA-based Expert algorithm as a separate definition (it is internal to the proof of Theorem 21.10), Lemma 21.13 and Corollary 21.14 as items, and the lower bound of Theorem 21.10.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 21. doi:10.1017/CBO9781107298019
  • N. Littlestone, Learning quickly when irrelevant attributes abound: a new linear-threshold algorithm, Machine Learning 2, 1988. doi:10.1007/BF00116827
  • N. Littlestone, M. K. Warmuth, The weighted majority algorithm, Information and Computation 108(2), 1994. doi:10.1006/inco.1994.1009
  • S. Ben-David, D. Pál, S. Shalev-Shwartz, Agnostic online learning, COLT 2009.
  • M. Zinkevich, Online convex programming and generalized infinitesimal gradient ascent, ICML 2003.
  • N. Cesa-Bianchi, G. Lugosi, Prediction, Learning, and Games, Cambridge University Press, 2006. doi:10.1017/CBO9780511546921
  • S. Shalev-Shwartz, Online learning and online convex optimization, Foundations and Trends in Machine Learning 4(2), 2011. doi:10.1561/2200000018
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Understanding Machine Learning XVII: ClusteringTextbook

Motivation

Clustering is the most widely used tool of exploratory data analysis and, at the same time, the least well defined: similar points should share a cluster and dissimilar points should not, but similarity is not transitive while cluster membership is, and without labels there is no ground truth against which to evaluate a proposed grouping. Chapter 22 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019), surveys the main paradigms, linkage-based algorithms, cost minimization with the k-means family, spectral relaxations of graph cuts, and the information bottleneck, and then returns to the question of what clustering is through Kleinberg's axioms. Its one theorem about that question is negative: no clustering function is simultaneously scale invariant, rich and consistent (Theorem 22.4). The mission formalizes this impossibility together with the chapter's positive facts: an iteration of the k-means algorithm never increases the k-means objective (Lemma 22.1), the RatioCut objective is the trace of a quadratic form of the graph Laplacian over cluster indicator vectors (Lemma 22.3), and the farthest-first traversal is a 2-approximation for the k-diam objective (Exercise 3).

Setting

A clustering of a finite set XXX is a partition C=(C1,…,Ck)C = (C_1, \dots, C_k)C=(C1​,…,Ck​). For X⊆RnX \subseteq \mathbb{R}^nX⊆Rn the k-means objective is G(C)=∑i∑x∈Ci∥x−μ(Ci)∥2G(C) = \sum_i\sum_{x \in C_i}\|x - \mu(C_i)\|^2G(C)=∑i​∑x∈Ci​​∥x−μ(Ci​)∥2 with μ(Ci)\mu(C_i)μ(Ci​) the centroid of CiC_iCi​, equivalently min⁡μ1,…,μk∑i∑x∈Ci∥x−μi∥2\min_{\mu_1, \dots, \mu_k}\sum_i\sum_{x \in C_i}\|x - \mu_i\|^2minμ1​,…,μk​​∑i​∑x∈Ci​​∥x−μi​∥2 (22.1); the k-means algorithm alternately reassigns each point to a nearest centroid and recomputes the centroids. For a similarity matrix W∈Rm×mW \in \mathbb{R}^{m \times m}W∈Rm×m, the degree matrix is D=diag⁡(∑jWi,j)D = \operatorname{diag}(\sum_j W_{i,j})D=diag(∑j​Wi,j​), the unnormalized graph Laplacian is L=D−WL = D - WL=D−W (Definition 22.2), and RatioCut⁡(C)=∑i1∣Ci∣∑r∈Ci,s∉CiWr,s\operatorname{RatioCut}(C) = \sum_i \frac1{|C_i|}\sum_{r \in C_i, s \notin C_i}W_{r,s}RatioCut(C)=∑i​∣Ci​∣1​∑r∈Ci​,s∈/Ci​​Wr,s​. Kleinberg's setting is a clustering function FFF that takes a dissimilarity ddd over XXX, symmetric, zero on the diagonal and positive off it, and returns a partition; the three axioms are Scale Invariance (F(αd)=F(d)F(\alpha d) = F(d)F(αd)=F(d)), Richness (every partition is some F(d)F(d)F(d)) and Consistency (shrinking within-cluster and expanding between-cluster dissimilarities leaves FFF unchanged). The k-diam objective is max⁡jdiam⁡(Cj)\max_j\operatorname{diam}(C_j)maxj​diam(Cj​), and the farthest-first traversal picks μ1\mu_1μ1​ arbitrarily and μj\mu_jμj​ maximizing min⁡i<jd(x,μi)\min_{i<j}d(x, \mu_i)mini<j​d(x,μi​), then clusters by nearest center.

Formalization targets

Goal: Theorem 22.4

For a finite domain XXX with at least two points, there is no function FFF from dissimilarities over XXX to partitions of XXX satisfying Scale Invariance, Richness and Consistency.

Milestones

Lemma 22.1 (a k-means iteration does not increase GGG); the Laplacian identity v⊤Lv=12∑r,sWr,s(vr−vs)2v^\top L v = \frac12\sum_{r,s}W_{r,s}(v_r - v_s)^2v⊤Lv=21​∑r,s​Wr,s​(vr​−vs​)2 from the proof of Lemma 22.3; Lemma 22.3 (H⊤H=IH^\top H = IH⊤H=I and RatioCut⁡(C)=trace⁡(H⊤LH)\operatorname{RatioCut}(C) = \operatorname{trace}(H^\top L H)RatioCut(C)=trace(H⊤LH) for Hi,j=∣Cj∣−1/21[i∈Cj]H_{i,j} = |C_j|^{-1/2}\mathbb{1}[i \in C_j]Hi,j​=∣Cj​∣−1/21[i∈Cj​]); Exercise 3 (farthest-first traversal is a 2-approximation for k-diam). Further item: the centroid minimizes ∑x∈C∥x−μ∥2\sum_{x \in C}\|x - \mu\|^2∑x∈C​∥x−μ∥2, the content of (22.1)–(22.3).

Significance

Kleinberg's theorem is the chapter's conceptual center: it says there is no ideal clustering function, only trade-offs, and the choice of a method must encode prior knowledge about the task, the unsupervised analogue of the No-Free-Lunch theorem. Its proof is short but delicate about what a dissimilarity is, and formalizing it fixes the exact hypotheses. Lemma 22.1 is the only guarantee the book offers for Lloyd's algorithm, and it is the reason the algorithm terminates on finite data. Lemma 22.3 is the bridge from a combinatorial cut objective to the spectrum of the Laplacian, the starting point of spectral clustering and of the PCA-type argument used in Chapter 23. The farthest-first result of Exercise 3 is Gonzalez's classical 2-approximation for k-center-type objectives, stated here for the diameter objective, and it is tight in the sense that no better constant is possible unless P = NP.

Difficulty

Theorem 22.4 follows the book: Richness gives d1d_1d1​ with all-singleton output and d2d_2d2​ with a different output; positivity lets one scale d2d_2d2​ above d1d_1d1​ pointwise, and Scale Invariance and Consistency then force two different values for F(αd2)F(\alpha d_2)F(αd2​). Formally the work is in building the scaled dissimilarity and in comparing Setoids. Lemma 22.1 is two inequalities: the nearest-centroid reassignment does not increase ∑i∑x∈Ci∥x−μi∥2\sum_i\sum_{x \in C_i}\|x - \mu_i\|^2∑i​∑x∈Ci​​∥x−μi​∥2 for the old centroids, because it minimizes it pointwise over assignments, and recomputing centroids does not increase it either, because the centroid minimizes the within-cluster sum of squares; the latter is the separate centroid item, a completing-the-square computation in an inner product space. The Laplacian identity is a finite double-sum manipulation that uses the symmetry of WWW; Lemma 22.3 applies it to the columns of HHH and computes H⊤HH^\top HH⊤H from the partition structure. Exercise 3 is the hint's argument: let rrr be the distance from the next farthest-first point μk+1\mu_{k+1}μk+1​ to the chosen centers; every point is within rrr of its center, so every cluster of the algorithm has diameter at most 2r2r2r, while the k+1k+1k+1 points μ1,…,μk+1\mu_1, \dots, \mu_{k+1}μ1​,…,μk+1​ are pairwise at distance at least rrr, so two of them share a cluster of any kkk-clustering, whose diameter is then at least rrr. When ∣X∣≤k|X| \le k∣X∣≤k the argument degenerates but the statement stays trivially true.

Formalization scope

Partitions are Fin k\mathrm{Fin}\ kFin k-indexed families of finsets covering each point of the data exactly once, and nearest-center assignments and farthest-first centers are predicates rather than functions, so every tie-breaking rule is covered. The k-means items live in Rn\mathbb{R}^nRn as EuclideanSpace; the centroid of an empty cluster is 000, which never enters any sum. The spectral items use Mathlib matrices over Fin m, Matrix.diagonal, Matrix.trace, the root-namespace dotProduct, and require WWW symmetric, which the identity needs and which every similarity matrix satisfies; Lemma 22.3 requires nonempty clusters, without which HHH has a zero column. Kleinberg's function is formalized on a fixed finite domain, as a map from Dissimilarity X to Setoid X, dissimilarities being positive on distinct points as in Kleinberg (2003): the book's model of p. 309 only asks for d≥0d \ge 0d≥0, but the scaling step of the proof of Theorem 22.4 requires positivity, and the theorem is stated for domains with at least two points, since the proof uses two partitions only. The k-diam theorem is stated without a maximum: every cluster of the algorithm has diameter at most twice the diameter of some cluster of the competitor, which is Gk-diam(C^)≤2Gk-diam(C∗)G_{k\text{-diam}}(\hat C) \le 2G_{k\text{-diam}}(C^*)Gk-diam​(C^)≤2Gk-diam​(C∗) without conventions for empty index sets, and Metric.diam gives 000 on sets of fewer than two points, the exercise's convention.

Not stated: the linkage-based algorithms and dendrograms of §22.1 (no theorem is stated about them), the k-medoids and k-median objectives, the spectral clustering algorithm itself, the information bottleneck of §22.4, Exercises 1, 2 and 4–6.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 22. doi:10.1017/CBO9781107298019
  • J. Kleinberg, An impossibility theorem for clustering, NIPS 2002.
  • S. P. Lloyd, Least squares quantization in PCM, IEEE Transactions on Information Theory 28(2), 1982. doi:10.1109/TIT.1982.1056489
  • U. von Luxburg, A tutorial on spectral clustering, Statistics and Computing 17, 2007. doi:10.1007/s11222-007-9033-z
  • T. F. Gonzalez, Clustering to minimize the maximum intercluster distance, Theoretical Computer Science 38, 1985. doi:10.1016/0304-3975(85)90224-5
  • M. Ackerman, S. Ben-David, Measures of clustering quality: a working set of axioms for clustering, NIPS 2008.
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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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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 LearningProbabilityStatistics·Captain: naimengye

Understanding Machine Learning XX: Rademacher ComplexitiesTextbook

Motivation

Chapter 4 showed that uniform convergence suffices for learnability; Chapter 26 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019), measures its rate. The representativeness of a sample, sup⁡h∈H(LD(h)−LS(h))\sup_{h \in H}(L_D(h) - L_S(h))suph∈H​(LD​(h)−LS​(h)), is the quantity that controls the excess risk of ERM, and the Rademacher complexity R(F∘S)=1mEσsup⁡f∈F∑iσif(zi)R(F \circ S) = \frac1m\mathbb{E}_\sigma\sup_{f \in F}\sum_i\sigma_i f(z_i)R(F∘S)=m1​Eσ​supf∈F​∑i​σi​f(zi​) estimates it from the sample itself: the symmetrization argument gives ERep⁡≤2 ER\mathbb{E}\operatorname{Rep} \le 2\,\mathbb{E}RERep≤2ER (Lemma 26.2), and McDiarmid's bounded-differences inequality turns expectations into high-probability statements, yielding the generalization bounds of Theorem 26.5, including the data-dependent ones in which the complexity is computed on the training set. A small calculus of Rademacher complexities follows, affine images, convex hulls, Massart's lemma for finite sets and the contraction lemma for Lipschitz compositions, and it is applied to linear classes with ℓ2\ell_2ℓ2​ and ℓ1\ell_1ℓ1​ constraints. The chapter's payoff is dimension-free generalization bounds for linear predictors with Lipschitz losses (Theorem 26.12), for hard-SVM (Theorems 26.13–26.14), and for predictors with low ℓ1\ell_1ℓ1​ norm (Theorem 26.15).

Setting

For a loss class F=ℓ∘HF = \ell \circ HF=ℓ∘H and a sample S=(z1,…,zm)S = (z_1, \dots, z_m)S=(z1​,…,zm​), Rep⁡D(F,S)=sup⁡f∈F(LD(f)−LS(f))\operatorname{Rep}_D(F, S) = \sup_{f \in F}(L_D(f) - L_S(f))RepD​(F,S)=supf∈F​(LD​(f)−LS​(f)) (26.1), F∘S={(f(z1),…,f(zm)):f∈F}F \circ S = \{(f(z_1), \dots, f(z_m)) : f \in F\}F∘S={(f(z1​),…,f(zm​)):f∈F}, and for A⊆RmA \subseteq \mathbb{R}^mA⊆Rm, R(A)=1mEσ[sup⁡a∈A∑iσiai]R(A) = \frac1m\mathbb{E}_\sigma[\sup_{a \in A}\sum_i\sigma_i a_i]R(A)=m1​Eσ​[supa∈A​∑i​σi​ai​] with σ\sigmaσ uniform on {±1}m\{\pm1\}^m{±1}m (26.5). The linear classes are H2∘S={(⟨w,xi⟩)i:∥w∥2≤1}H_2 \circ S = \{(\langle w, x_i\rangle)_i : \|w\|_2 \le 1\}H2​∘S={(⟨w,xi​⟩)i​:∥w∥2​≤1} in a Hilbert space and H1∘SH_1 \circ SH1​∘S with ∥w∥1≤1\|w\|_1 \le 1∥w∥1​≤1 in Rn\mathbb{R}^nRn (26.14). Losses of the form ℓ(w,(x,y))=φ(⟨w,x⟩,y)\ell(w, (x, y)) = \varphi(\langle w, x\rangle, y)ℓ(w,(x,y))=φ(⟨w,x⟩,y) with a↦φ(a,y)a \mapsto \varphi(a, y)a↦φ(a,y) ρ\rhoρ-Lipschitz (26.18) cover the hinge and absolute losses.

Formalization targets

Goal: Theorem 26.5

Assume ∣ℓ(h,z)∣≤c|\ell(h, z)| \le c∣ℓ(h,z)∣≤c for all zzz and h∈Hh \in Hh∈H. Then, each with probability at least 1−δ1 - \delta1−δ over S∼DmS \sim D^mS∼Dm:

  1. for all h∈Hh \in Hh∈H, LD(h)−LS(h)≤2 ES′∼DmR(ℓ∘H∘S′)+c2ln⁡(2/δ)/mL_D(h) - L_S(h) \le 2\,\mathbb{E}_{S' \sim D^m}R(\ell \circ H \circ S') + c\sqrt{2\ln(2/\delta)/m}LD​(h)−LS​(h)≤2ES′∼Dm​R(ℓ∘H∘S′)+c2ln(2/δ)/m​;
  2. for all h∈Hh \in Hh∈H, LD(h)−LS(h)≤2R(ℓ∘H∘S)+4c2ln⁡(4/δ)/mL_D(h) - L_S(h) \le 2R(\ell \circ H \circ S) + 4c\sqrt{2\ln(4/\delta)/m}LD​(h)−LS​(h)≤2R(ℓ∘H∘S)+4c2ln(4/δ)/m​;
  3. for any h⋆∈Hh^\star \in Hh⋆∈H, LD(ERMH(S))−LD(h⋆)≤2R(ℓ∘H∘S)+5c2ln⁡(8/δ)/mL_D(\mathrm{ERM}_H(S)) - L_D(h^\star) \le 2R(\ell \circ H \circ S) + 5c\sqrt{2\ln(8/\delta)/m}LD​(ERMH​(S))−LD​(h⋆)≤2R(ℓ∘H∘S)+5c2ln(8/δ)/m​.

Milestones

Lemma 26.2 (symmetrization); Lemma 26.8 (Massart); Lemma 26.9 (contraction); Theorem 26.12 (linear predictors with ℓ2\ell_2ℓ2​ constraints); Theorem 26.13 (hard-SVM). Further items: Theorem 26.3, Lemma 26.4 (McDiarmid), Lemmas 26.6, 26.7, 26.10, 26.11, Theorem 26.14 and Theorem 26.15.

Significance

Rademacher complexity is the modern language of uniform convergence: it is data-dependent, it is dimension-free for linear classes, and it composes with Lipschitz losses, which is why the SVM bounds of this chapter do not depend on the dimension of www and apply verbatim to kernel methods (Remark 26.2). Theorem 26.5 is the template every such bound follows, symmetrization plus McDiarmid, and the two data-dependent parts are the first bounds in the book that use the training set both to learn and to certify. Massart's lemma and the contraction lemma are the two tools that make the calculus work, the first converting finiteness into a logarithmic dependence, the second removing the loss function from the picture. Theorem 26.13 finally justifies the margin-based sample complexity R2∥w⋆∥2/ϵ2R^2\|w^\star\|^2/\epsilon^2R2∥w⋆∥2/ϵ2 of hard-SVM, and Theorem 26.14 gives a bound computable from the output alone.

Difficulty

Lemma 26.2 is the symmetrization argument: a ghost sample, the exchange of zjz_jzj​ and zj′z'_jzj′​ (26.7), the introduction of one Rademacher sign at a time (26.8)–(26.9), and the split of the supremum. Formally it needs Fubini over the product of 2m2m2m copies of DDD and the sign average, and the measurability of the suprema, which the statements assume. McDiarmid's inequality is a martingale argument with Hoeffding's lemma at each step; it is the substantial probabilistic input, and Theorem 26.5 combines it with Lemma 26.2, a union bound and Hoeffding's inequality along the decomposition (26.10). Lemma 26.6 is the symmetry σ↦−σ\sigma \mapsto -\sigmaσ↦−σ; Lemma 26.7 is the fact that a linear functional on the simplex is maximized at a vertex; Massart's lemma is the exponential-moment bound Eeσa≤ea2/2\mathbb{E}e^{\sigma a} \le e^{a^2/2}Eeσa≤ea2/2 with Jensen and an optimized scaling; the contraction lemma is Kakade and Tewari's coordinate-by-coordinate argument (26.12)–(26.13), which in a formal proof must be run as an induction over the coordinates. Lemmas 26.10 and 26.11 are Cauchy–Schwarz and Hölder followed by Jensen, respectively Massart on the 2n2n2n coordinate vectors. Theorem 26.12 chains contraction, Lemma 26.10 and Theorem 26.5 on the almost-sure event ∥x∥≤R\|x\| \le R∥x∥≤R; Theorem 26.13 specializes it to the ramp loss with B=∥w⋆∥B = \|w^\star\|B=∥w⋆∥, where the hard-SVM output has zero empirical ramp loss; Theorem 26.14 is a union bound over the nested classes ∥w∥≤2i\|w\| \le 2^i∥w∥≤2i with δi=δ/(2i2)\delta_i = \delta/(2i^2)δi​=δ/(2i2); Theorem 26.15 repeats Theorem 26.12 with Lemma 26.11.

Formalization scope

The Rademacher complexity is a finite average over the 2m2^m2m sign vectors, so no measure on {±1}m\{\pm1\}^m{±1}m is needed, and the supremum over AAA is the real supremum over the subtype AAA; the theorems assume AAA nonempty and bounded, which every evaluation set of a bounded loss class satisfies. Risks are Mission I's risk and empRisk, samples are Fin m-indexed under iidLaw, and probability statements bound the outer measure of the failure event. Expectations of suprema over uncountable classes are Bochner integrals, so Lemma 26.2, Theorem 26.3 and Theorem 26.5 carry explicit hypotheses that S↦Rep⁡D(F,S)S \mapsto \operatorname{Rep}_D(F, S)S↦RepD​(F,S) and S↦R(F∘S)S \mapsto R(F \circ S)S↦R(F∘S) are measurable, the book's Remark 3.1 made visible; for the linear classes of §26.3–§26.4 these hold automatically when the Hilbert space is separable (the supremum over the ball is a supremum over a countable dense subset), which is why Theorems 26.12–26.14 assume SecondCountableTopology. McDiarmid's inequality is stated for a measurable function on a product of arbitrary probability measures. Theorem 26.13's error is P[y⟨wS,x⟩≤0]P[y\langle w_S, x\rangle \le 0]P[y⟨wS​,x⟩≤0], which dominates P[y≠sign⁡⟨wS,x⟩]P[y \ne \operatorname{sign}\langle w_S, x\rangle]P[y=sign⟨wS​,x⟩] whatever sign⁡(0)\operatorname{sign}(0)sign(0) is, and the hard-SVM learner is any map returning a minimum-norm margin-1 separator on separable samples; measurability of the learner is not needed because the bound is uniform over the ball. Theorem 26.14 is given with the constants of its proof, 4(ln⁡(4log⁡2∥wS∥)+ln⁡(1/δ))/m\sqrt{4(\ln(4\log_2\|w_S\|) + \ln(1/\delta))/m}4(ln(4log2​∥wS​∥)+ln(1/δ))/m​ rather than the printed ln⁡(4log⁡2∥wS∥/δ)/m\sqrt{\ln(4\log_2\|w_S\|/\delta)/m}ln(4log2​∥wS​∥/δ)/m​, and for ∥wS∥≥2\|w_S\| \ge 2∥wS​∥≥2, where i=⌈log⁡2∥wS∥⌉i = \lceil\log_2\|w_S\|\rceili=⌈log2​∥wS​∥⌉ satisfies 1≤i≤2log⁡2∥wS∥1 \le i \le 2\log_2\|w_S\|1≤i≤2log2​∥wS​∥ as the proof requires; the item text records this. Norms on Rn\mathbb{R}^nRn as Fin n → ℝ are sup norms (Lemma 26.11, Theorem 26.15), Euclidean norms are written out (Massart), and inner product spaces carry the Euclidean norm.

Not stated: Definition 26.1 (already Mission II's IsRepresentative), the validation heuristic (26.2)–(26.3), Remark 26.1 (the improved rate under separability, no proof), Remark 26.2.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 26. doi:10.1017/CBO9781107298019
  • P. L. Bartlett, S. Mendelson, Rademacher and Gaussian complexities: risk bounds and structural results, Journal of Machine Learning Research 3, 2002.
  • V. Koltchinskii, D. Panchenko, Rademacher processes and bounding the risk of function learning, in High Dimensional Probability II, Birkhäuser, 2000. doi:10.1007/978-1-4612-1358-1_29
  • C. McDiarmid, On the method of bounded differences, in Surveys in Combinatorics, Cambridge University Press, 1989. doi:10.1017/CBO9781107359949.008
  • S. M. Kakade, K. Sridharan, A. Tewari, On the complexity of linear prediction: risk bounds, margin bounds, and regularization, NIPS 2008.
  • S. Boucheron, O. Bousquet, G. Lugosi, Theory of classification: a survey of some recent advances, ESAIM: Probability and Statistics 9, 2005. doi:10.1051/ps:2005018
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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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Understanding Machine Learning XXII: Proof of the Fundamental TheoremTextbook

Motivation

Chapter 6 stated the fundamental theorem of statistical learning: a binary class is learnable if and only if its VC dimension is finite, with sample complexity Θ((d+ln⁡(1/δ))/ϵ2)\Theta((d + \ln(1/\delta))/\epsilon^2)Θ((d+ln(1/δ))/ϵ2) in the agnostic case and Θ((dln⁡(1/ϵ)+ln⁡(1/δ))/ϵ)\Theta((d\ln(1/\epsilon) + \ln(1/\delta))/\epsilon)Θ((dln(1/ϵ)+ln(1/δ))/ϵ) in the realizable case. Chapter 28 of Shalev-Shwartz and Ben-David, Understanding Machine Learning: From Theory to Algorithms (doi:10.1017/CBO9781107298019), proves it. The agnostic upper bound is obtained from the Rademacher machinery of Chapter 26 with Sauer's lemma and Massart's lemma, up to a log⁡(d/ϵ)\log(d/\epsilon)log(d/ϵ) factor that only chaining removes (28.1). The agnostic lower bound comes in two parts: a two-point construction giving m≥0.5log⁡(1/(4δ))/ϵ2m \ge 0.5\log(1/(4\delta))/\epsilon^2m≥0.5log(1/(4δ))/ϵ2, and a ddd-point construction giving m≥d/(512ϵ2)m \ge d/(512\epsilon^2)m≥d/(512ϵ2) at confidence 1/81/81/8, whose heart is Lemma 28.1, the optimality of the Maximum-Likelihood rule against the family of noisy distributions DbD_bDb​. The realizable upper bound is proved through ϵ\epsilonϵ-nets: with m≥8ϵ(2dlog⁡(16e/ϵ)+log⁡(2/δ))m \ge \frac8\epsilon(2d\log(16e/\epsilon) + \log(2/\delta))m≥ϵ8​(2dlog(16e/ϵ)+log(2/δ)) examples a random sample hits every set of measure at least ϵ\epsilonϵ in the class (Theorem 28.3), so any hypothesis consistent with the sample has error below ϵ\epsilonϵ. Mission IV states these bounds with unnamed constants; this mission gives the chapter's explicit ones.

Setting

HHH is a class of functions X→{0,1}X \to \{0,1\}X→{0,1} with the 0–1 loss and VCdim⁡(H)=d\operatorname{VCdim}(H) = dVCdim(H)=d. For the upper bound, A={(1[h(xi)≠yi])i:h∈H}A = \{(\mathbb{1}[h(x_i) \ne y_i])_i : h \in H\}A={(1[h(xi​)=yi​])i​:h∈H} is the loss set of a sample and R(A)R(A)R(A) its Rademacher complexity. For the lower bounds, C={c1,…,cd}C = \{c_1, \dots, c_d\}C={c1​,…,cd​} is a set shattered by HHH and, for b∈{±1}db \in \{\pm1\}^db∈{±1}d and ρ∈(0,1)\rho \in (0,1)ρ∈(0,1), DbD_bDb​ draws cic_ici​ uniformly and labels it bib_ibi​ with probability (1+ρ)/2(1+\rho)/2(1+ρ)/2; for d=1d = 1d=1 these are the distributions D±D_\pmD±​ of §28.2.1. The Maximum-Likelihood rule AMLA_{ML}AML​ predicts at each cic_ici​ the majority of the labels seen at cic_ici​. An ϵ\epsilonϵ-net for HHH with respect to DDD is a sample meeting every h∈Hh \in Hh∈H with D(h)≥ϵD(h) \ge \epsilonD(h)≥ϵ (Definition 28.2).

Formalization targets

Goal: Theorem 28.3

Let VCdim⁡(H)=d\operatorname{VCdim}(H) = dVCdim(H)=d, ϵ∈(0,1)\epsilon \in (0,1)ϵ∈(0,1), δ∈(0,1/4)\delta \in (0, 1/4)δ∈(0,1/4) and m≥8ϵ(2dlog⁡16eϵ+log⁡2δ)m \ge \frac8\epsilon\big(2d\log\frac{16e}{\epsilon} + \log\frac2\delta\big)m≥ϵ8​(2dlogϵ16e​+logδ2​). Then with probability at least 1−δ1 - \delta1−δ over S∼DmS \sim D^mS∼Dm, SSS is an ϵ\epsilonϵ-net for HHH.

Milestones

The two-sided deviation bound of §28.1 (∣LD(h)−LS(h)∣≤2(8dlog⁡(em/d)+2log⁡(4/δ))/m|L_D(h) - L_S(h)| \le 2\sqrt{(8d\log(em/d) + 2\log(4/\delta))/m}∣LD​(h)−LS​(h)∣≤2(8dlog(em/d)+2log(4/δ))/m​ uniformly over HHH); the lower bound m(ϵ,δ)≥0.5log⁡(1/(4δ))/ϵ2m(\epsilon,\delta) \ge 0.5\log(1/(4\delta))/\epsilon^2m(ϵ,δ)≥0.5log(1/(4δ))/ϵ2 of §28.2.1; Lemma 28.1; the lower bound m(ϵ,1/8)≥d/(512ϵ2)m(\epsilon, 1/8) \ge d/(512\epsilon^2)m(ϵ,1/8)≥d/(512ϵ2) of §28.2.2; the realizable upper bound of §28.3 (ERM has error at most ϵ\epsilonϵ with probability 1−δ1 - \delta1−δ for the sample size of Theorem 28.3). Further items: the Rademacher bound R(A)≤2dlog⁡(em/d)/mR(A) \le \sqrt{2d\log(em/d)/m}R(A)≤2dlog(em/d)/m​, the explicit uniform-convergence sample complexity of §28.1, and the expectation lower bound ρ/4\rho/4ρ/4 of §28.2.2.

Significance

These are the theorems that make the VC dimension the right measure of learnability, with constants. The upper bounds show what the abstract machinery of Missions II, IV, XX buys when instantiated: Sauer plus Massart plus Theorem 26.5 gives the agnostic rate, and the double-sample symmetrization plus Sauer gives the realizable rate, sharper by a factor 1/ϵ1/\epsilon1/ϵ because ϵ\epsilonϵ-nets need only one-sided control. The lower bounds are the No-Free-Lunch argument refined to quantify ϵ\epsilonϵ and δ\deltaδ: the two-point distribution shows that confidence costs log⁡(1/δ)/ϵ2\log(1/\delta)/\epsilon^2log(1/δ)/ϵ2, and the ddd-point family with Lemma 28.1 shows that the dimension costs d/ϵ2d/\epsilon^2d/ϵ2, through the exact optimality of majority voting and a binomial anti-concentration bound. Theorem 28.3 is also the basic ϵ\epsilonϵ-net theorem of Haussler and Welzl, a result of independent importance in computational geometry.

Difficulty

The Rademacher bound is Sauer's lemma (Mission IV) plus Massart's lemma (Mission XX) with ∥a−aˉ∥≤m\|a - \bar a\| \le \sqrt m∥a−aˉ∥≤m​; the deviation bound is Theorem 26.5 applied to ℓ\ellℓ and −ℓ-\ell−ℓ with a union bound; the explicit sample complexity is Lemma A.2, x≥4alog⁡(2a)+2b⇒x≥alog⁡x+bx \ge 4a\log(2a) + 2b \Rightarrow x \ge a\log x + bx≥4alog(2a)+2b⇒x≥alogx+b, which a formal proof must establish (the tangent inequality for log⁡\loglog at 2a2a2a). The two-point lower bound requires the binomial lower-tail estimate of Lemma B.11 and the algebra 12(1−1−4δ)≥δ\frac12(1 - \sqrt{1 - \sqrt{4\delta}}) \ge \delta21​(1−1−4δ​​)≥δ, valid for δ<1/4\delta < 1/4δ<1/4, the only nonvacuous range. Lemma 28.1 is a conditioning argument: fixing the instance indices and the labels off cic_ici​, the contribution of cic_ici​ is minimized by predicting the more likely bib_ibi​ given the labels at cic_ici​, which is the majority; the formal proof must decompose the product measure DbmD_b^mDbm​ over the positions rrr with xr=cix_r = c_ixr​=ci​. The expectation bound ρ/4\rho/4ρ/4 then needs Lemma B.11 again, 1−e−a≤a1 - e^{-a} \le a1−e−a≤a, Jensen for ⋅\sqrt{\cdot}⋅​ and E[ni]=m/d\mathbb{E}[n_i] = m/dE[ni​]=m/d, and the probability bound 1/81/81/8 follows by Mission III's reverse Markov inequality with ρ=8ϵ\rho = 8\epsilonρ=8ϵ. Theorem 28.3 is the double-sample argument: Claim 1 (P[S∈B]≤2P[(S,T)∈B′]P[S \in B] \le 2P[(S,T) \in B']P[S∈B]≤2P[(S,T)∈B′], via a Chernoff bound that only needs mϵ≥2log⁡2m\epsilon \ge 2\log 2mϵ≥2log2), Claim 2 (symmetrization by a random half, P[(S,T)∈B′]≤e−ϵm/4τH(2m)P[(S,T) \in B'] \le e^{-\epsilon m/4}\tau_H(2m)P[(S,T)∈B′]≤e−ϵm/4τH​(2m)), Sauer's lemma, and Lemma A.2 once more. The realizable upper bound applies Theorem 28.3 to the error sets {x:h(x)≠f(x)}\{x : h(x) \ne f(x)\}{x:h(x)=f(x)}, a class of the same VC dimension.

Formalization scope

All objects are those of the earlier missions: risks, samples and learners from Mission I, vcDim and the countable-approximation property PointwiseSeparable from Mission IV (the measurability device for suprema over HHH, used wherever a symmetrization or Rademacher argument is invoked), condLaw from Mission XIV for the distributions DbD_bDb​, and rademacher, evalSet, lossClass from Mission XX. Probability statements bound the outer measure of the failure event under iidLaw. The Rademacher and deviation items require m>d+1m > d + 1m>d+1, the range in which Mission IV states Sauer's lemma in the form (em/d)d(em/d)^d(em/d)d; the explicit sample complexity of §28.1 implies this range, since its first term 432dlog⁡(64d/ϵ2)/ϵ2432d\log(64d/\epsilon^2)/\epsilon^2432dlog(64d/ϵ2)/ϵ2 dominates the possibly negative 8dlog⁡(e/d)8d\log(e/d)8dlog(e/d), and Lemma A.2 holds for any real bbb, so the book's constants are used verbatim. The lower bounds take a shattered set as an injective c:Fin d→Xc : \mathrm{Fin}\ d \to Xc:Fin d→X with the shattering property written out, use DbD_bDb​ as condLaw of the uniform law on CCC, and state the excess risk against min⁡h∈HLDb(h)\min_{h \in H}L_{D_b}(h)minh∈H​LDb​​(h) as ∃h∈H\exists h \in H∃h∈H with L(h)+ϵ≤L(A(S))L(h) + \epsilon \le L(A(S))L(h)+ϵ≤L(A(S)), or as a real infimum over HHH in the expectation item; no measurability of the learner is needed because DbmD_b^mDbm​ is atomic. Lemma 28.1 compares the sums over bbb of the expected risks, the common term min⁡hLDb\min_h L_{D_b}minh​LDb​​ cancelling, for every majority rule with arbitrary tie-breaking. Theorem 28.3 and the realizable bound are stated for δ∈(0,1/4)\delta \in (0, 1/4)δ∈(0,1/4), the theorem's own range; the realizable bound is the inner clause of Mission I's IsPACWith on that range rather than a sample-complexity function, since the theorem does not cover δ≥1/4\delta \ge 1/4δ≥1/4 with its formula.

Not stated: the realizable lower bound (an exercise), the remark that chaining removes the logarithm in (28.1), and the intermediate claims of the proof of Theorem 28.3 as separate items.

Selected references

  • S. Shalev-Shwartz, S. Ben-David, Understanding Machine Learning: From Theory to Algorithms, Cambridge University Press, 2014, Chapter 28. doi:10.1017/CBO9781107298019
  • V. N. Vapnik, A. Ya. Chervonenkis, On the uniform convergence of relative frequencies of events to their probabilities, Theory of Probability and its Applications 16(2), 1971. doi:10.1137/1116025
  • A. Blumer, A. Ehrenfeucht, D. Haussler, M. K. Warmuth, Learnability and the Vapnik-Chervonenkis dimension, Journal of the ACM 36(4), 1989. doi:10.1145/76359.76371
  • D. Haussler, E. Welzl, ε-nets and simplex range queries, Discrete and Computational Geometry 2, 1987. doi:10.1007/BF02187876
  • M. Anthony, P. L. Bartlett, Neural Network Learning: Theoretical Foundations, Cambridge University Press, 1999. doi:10.1017/CBO9780511624216
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