Pure Exploration and Best-Arm Identification

Bandits with a different objective: the learner is judged only on its final recommendation, not on reward collected along the way. Simple regret; uniform exploration's exponential decay but extra √(log k) in the worst case; recommending by empirical play frequencies turns any cumulative-regret algorithm into simple regret Rₙ/n, giving the minimax √(k/n) — while low-cumulative-regret policies misidentify the best arm with only polynomially small probability. Fixed-confidence best-arm identification: sound triples (policy, stopping time, selection rule), the change-of-measure lower bound E[τ] ≥ c*(ν) log(1/(4δ)) with the characteristic time c*(ν)⁻¹ = sup_α inf_alt Σ αᵢ D(νᵢ,ν′ᵢ), Gaussian examples (8/Δ² for two arms; heteroscedastic bounds), and track-and-stop (generalised likelihood-ratio stopping, tracking the optimal proportions with √t forced exploration) achieving it as δ→0. Fixed-budget identification: sequential halving with error 3 log₂k · exp(−n/(16 H₂ log₂k)), the complexity measures H₁ and H₂, and when it beats uniform exploration. Notes on PAC (ε,δ) identification, multiple optimal arms, ordinal optimisation, zeroth-order optimisation, ranking and selection, and open problems.

· 19 min read · 3,629 words

Corresponds to Lattimore & Szepesvári, Chapter 33.

Motivation: exploration is free; only the answer counts

IntuitionThe mouse never benefits from the experiment

A researcher tests kk drug configurations on nn mice to choose one for human trials. The mice’s outcomes don’t matter, only the final recommendation does. There is no exploration–exploitation trade-off: every sample can go wherever it is most informative. These are pure exploration problems. The tools are those of cumulative regret (concentration, change of measure), but the optimal behaviour is quite different.

FormulationLearner controlsObjectiveKey result
Simple regretallocation for nn rounds + recommendation An+1A_{n+1}E[ΔAn+1]\mathbb E[\Delta_{A_{n+1}}]minimax Θ(k/n)\Theta(\sqrt{k/n})
Fixed confidenceallocation + stopping time τ\tau + recommendation ψ\psiminimise E[τ]\mathbb E[\tau] subject to P(wrong)≤δ\mathbb P(\text{wrong})\le\deltaE[τ]∼c∗(ν)log⁡1δ\mathbb E[\tau]\sim c^*(\nu)\log\frac1\delta (track-and-stop)
Fixed budgetallocation for nn rounds + recommendationminimise P(ΔAn+1>0)\mathbb P(\Delta_{A_{n+1}} > 0)exp⁡(−Θ(n/(H2log⁡k)))\exp(-\Theta(n/(H_2\log k))) (sequential halving)

Simple regret

DefinitionSimple regret

For a policy π=(πt)t=1n+1\pi = (\pi_t)_{t=1}^{n+1}, where round n+1n+1 is the recommendation,

Rnsimple(π,ν)=Eνπ[ΔAn+1(ν)]R_n^{\mathrm{simple}}(\pi,\nu) = \mathbb E_{\nu\pi}\big[\Delta_{A_{n+1}}(\nu)\big]

Optimisation literature calls this the expected suboptimality.

ComponentDetail
SignatureRnsimple:Π×E→[0,∞)R_n^{\mathrm{simple}} : \Pi\times\mathcal E\to[0,\infty)
Countsonly the gap of the final recommendation
Ignoresall rewards during the nn exploration rounds

AlgorithmUniform exploration (UE, Algorithm 20)

For t≤nt\le n play At=1+(t mod k)A_t = 1 + (t\bmod k) (round robin). Recommend An+1=arg⁡max⁡iμ^i(n)A_{n+1} = \arg\max_i\hat\mu_i(n).

TheoremTheorem 33.1 — Simple regret of uniform exploration

For ν∈ESGk(1)\nu\in\mathcal E^k_{SG}(1) and n≥kn\ge k,

Rnsimple(UE,ν)≤min⁡Δ≥0(Δ+∑i:Δi>ΔΔiexp⁡(−⌊n/k⌋Δi24))R_n^{\mathrm{simple}}(\mathrm{UE},\nu)\le\min_{\Delta\ge0}\Big(\Delta + \sum_{i:\Delta_i>\Delta}\Delta_i\exp\Big(-\frac{\lfloor n/k\rfloor\Delta_i^2}4\Big)\Big)

ProofEach arm has a deterministic sample count, so the subgaussian tail applies directly

With arm 1 optimal, An+1=iA_{n+1} = i requires μ^i(n)≥μ^1(n)\hat\mu_i(n)\ge\hat\mu_1(n). Both means use at least ⌊n/k⌋\lfloor n/k\rfloor samples, a non-random count, so their difference is 2/⌊n/k⌋\sqrt{2/\lfloor n/k\rfloor}-subgaussian and P(μ^i≥μ^1)≤e−⌊n/k⌋Δi2/4\mathbb P(\hat\mu_i\ge\hat\mu_1)\le e^{-\lfloor n/k\rfloor\Delta_i^2/4} (33.1). Then Rsimple=∑iΔiP(An+1=i)≤Δ+∑Δi>ΔΔiP(An+1=i)R^{\mathrm{simple}} = \sum_i\Delta_i\mathbb P(A_{n+1} = i)\le\Delta + \sum_{\Delta_i>\Delta}\Delta_i\mathbb P(A_{n+1} = i).

∎

ImportantSimple regret versus cumulative regret

  • Fixed ν\nu, n→∞n\to\infty: simple regret decays exponentially fast, whereas cumulative regret grows like log⁡n\log n.
  • Fixed nn, worst case over ν\nu: with Δ=2log⁡k/⌊n/k⌋\Delta = 2\sqrt{\log k/\lfloor n/k\rfloor}, each remaining term is at most Δ/k\Delta/k (since xe−cx2xe^{-cx^2} decreases beyond 1/2c1/\sqrt{2c}), so Rnsimple(UE,ν)≤Cklog⁡kn∀ν∈ESGk(1)(33.2)R_n^{\mathrm{simple}}(\mathrm{UE},\nu)\le C\sqrt{\frac{k\log k}n}\quad\forall\nu\in\mathcal E^k_{SG}(1) \tag{33.2} (Constant worked here.)
  • Lower bound (Exercise 33.1): every policy has some Gaussian ν\nu with Rnsimple≥Ck/nR_n^{\mathrm{simple}}\ge C\sqrt{k/n}, by the Chapter 15 technique. The log⁡k\sqrt{\log k} is tight for UE (Exercise 33.2), so UE is not minimax-optimal.

From cumulative to simple regret

TheoremProposition 33.2 — Recommend by play frequency

Given any policy (πt)t≤n(\pi_t)_{t\le n}, recommend arm ii with probability equal to its empirical play frequency: πn+1(i∣⋅)=1n∑t≤nI{at=i}\pi_{n+1}(i\mid\cdot) = \frac1n\sum_{t\le n}\mathbb I\{a_t = i\}. Then

Rnsimple=Rn(π,ν)nR_n^{\mathrm{simple}} = \frac{R_n(\pi,\nu)}n

ProofRegret decomposition

Rn=n E[∑iΔiTi(n)n]=n E[ΔAn+1]R_n = n\,\mathbb E\big[\sum_i\Delta_i\frac{T_i(n)}n\big] = n\,\mathbb E[\Delta_{A_{n+1}}], by the regret decomposition and the definition of πn+1\pi_{n+1}.

∎

CorollaryCorollary 33.3 — Minimax simple regret

Combining with MOSS (Rn≤CknR_n\le C\sqrt{kn}): inf⁡πsup⁡νRnsimple≤Ck/n\inf_\pi\sup_{\nu}R_n^{\mathrm{simple}}\le C\sqrt{k/n}, which matches the lower bound.

WarningLow cumulative regret is wasteful on easy instances

Cumulative-regret algorithms play suboptimal arms just barely enough to rule them out. Their worst-case simple regret is fine, but on easy instances the probability of misidentifying the best arm decays only polynomially:

  • If lim⁡nE[Ti(n)]/log⁡n=2/Δi\lim_n\mathbb E[T_i(n)]/\log n = 2/\Delta_i (asymptotically optimal), then for every ε>0\varepsilon > 0 some ν\nu has lim inf⁡n−log⁡P(An+1∉i∗)log⁡n≤1+ε\liminf_n\frac{-\log\mathbb P(A_{n+1}\notin i^*)}{\log n}\le1 + \varepsilon, no matter how An+1A_{n+1} is chosen (Exercise 33.5; Bubeck et al. 2009).
  • Their empirical means are also negatively biased: arms are played until their estimates look bad enough.

Fixed-confidence best-arm identification

DefinitionPolicy, stopping rule, selection rule

The learner chooses a policy π\pi, a stopping time τ\tau for Ft=σ(A1,X1,…,At,Xt)\mathcal F_t = \sigma(A_1,X_1,\ldots,A_t,X_t) (possibly τ=∞\tau = \infty, Definition 3.6), and an Fτ\mathcal F_\tau-measurable selection rule ψ∈[k]\psi\in[k], the recommendation.

DefinitionSoundness (Def. 33.4)

(π,τ,ψ)(\pi,\tau,\psi) is sound at level δ\delta for E\mathcal E if for all ν∈E\nu\in\mathcal E

Pνπ(τ<∞ and Δψ(ν)>0)≤δ(33.3)\mathbb P_{\nu\pi}\big(\tau < \infty\ \text{and}\ \Delta_\psi(\nu) > 0\big)\le\delta \tag{33.3}

Goal: among sound triples, minimise Eνπ[τ]\mathbb E_{\nu\pi}[\tau] for every ν\nu. Soundness plays the role of consistency in the asymptotic lower bounds, giving instance-dependent asymptotic optimality as δ→0\delta\to0. Exogenous randomness in τ\tau or ψ\psi changes nothing.

WarningTies make stopping impossible (Exercise 33.10)

For Gaussian or Bernoulli classes, if ν\nu has multiple optimal arms, every sound learner has Pνπ(τ=∞)=1\mathbb P_{\nu\pi}(\tau = \infty) = 1. It can never rule out that one optimal arm is fractionally better than another. For classes with extra structure (for example, a known minimum gap between distinct means), stopping is possible.

Lower bound

DefinitionAlternatives and characteristic time

i∗(ν)=arg⁡max⁡iμi(ν)i^*(\nu) = \arg\max_i\mu_i(\nu), and Ealt(ν)={ν′∈E:i∗(ν′)∩i∗(ν)=∅}\mathcal E_{\mathrm{alt}}(\nu) = \{\nu'\in\mathcal E : i^*(\nu')\cap i^*(\nu) = \emptyset\} are the instances in which no optimal arm of ν\nu is optimal.

c∗(ν)−1=sup⁡α∈Pk−1inf⁡ν′∈Ealt(ν)∑i=1kαiD(νi,νi′)(33.4)c^*(\nu)^{-1} = \sup_{\alpha\in\mathcal P_{k-1}}\inf_{\nu'\in\mathcal E_{\mathrm{alt}}(\nu)}\sum_{i=1}^k\alpha_iD(\nu_i,\nu_i') \tag{33.4}

with c∗(ν)=∞c^*(\nu) = \infty when the sup is 0.

ComponentDetail
α\alphathe long-run fraction of samples given to each arm
Inner infthe hardest alternative to rule out under allocation α\alpha
c∗(ν)−1c^*(\nu)^{-1}best achievable rate of evidence per sample against the closest wrong world
c∗(ν)c^*(\nu)samples needed per unit of log⁡(1/δ)\log(1/\delta)

TheoremTheorem 33.5 — Fixed-confidence lower bound

If (π,τ,ψ)(\pi,\tau,\psi) is sound at level δ\delta for E\mathcal E, then for every ν∈E\nu\in\mathcal E

Eνπ[τ]≥c∗(ν)log⁡14δ\mathbb E_{\nu\pi}[\tau]\ge c^*(\nu)\log\frac1{4\delta}

This needs no unstructuredness, and extends to infinitely many arms under measurability.

ProofChange of measure at the stopping time

Step 1: assume E[τ]<∞\mathbb E[\tau] < \infty, so τ<∞\tau < \infty a.s. Fix ν′∈Ealt(ν)\nu'\in\mathcal E_{\mathrm{alt}}(\nu) and E={τ<∞, ψ∉i∗(ν′)}∈FτE = \{\tau < \infty,\ \psi\notin i^*(\nu')\}\in\mathcal F_\tau. Soundness under both instances, and i∗(ν)∩i∗(ν′)=∅i^*(\nu)\cap i^*(\nu') = \emptyset, give Ec⊆{τ=∞}∪{τ<∞, ψ∉i∗(ν)}E^c\subseteq\{\tau = \infty\}\cup\{\tau < \infty,\ \psi\notin i^*(\nu)\}, so

2δ≥Pν(Ec)+Pν′(E)≥12exp⁡(−∑iEν[Ti(τ)]D(νi,νi′))(33.5)2\delta\ge\mathbb P_\nu(E^c) + \mathbb P_{\nu'}(E)\ge\frac12\exp\Big(-\sum_i\mathbb E_\nu[T_i(\tau)]D(\nu_i,\nu_i')\Big) \tag{33.5}

by Bretagnolle–Huber and the stopped divergence decomposition (Exercise 15.7).

Step 2: rearranging, ∑iEν[Ti(τ)]D(νi,νi′)≥log⁡14δ\sum_i\mathbb E_\nu[T_i(\tau)]D(\nu_i,\nu_i')\ge\log\frac1{4\delta} for every alternative (33.6).

Step 3: Normalise. The proportions αi=E[Ti(τ)]/E[τ]\alpha_i = \mathbb E[T_i(\tau)]/\mathbb E[\tau] form a distribution, so

E[τ]c∗(ν)≥E[τ]inf⁡ν′∑iE[Ti(τ)]E[τ]D(νi,νi′)=inf⁡ν′∑iE[Ti(τ)]D(νi,νi′)≥log⁡14δ(33.7)\frac{\mathbb E[\tau]}{c^*(\nu)}\ge\mathbb E[\tau]\inf_{\nu'}\sum_i\frac{\mathbb E[T_i(\tau)]}{\mathbb E[\tau]}D(\nu_i,\nu_i') = \inf_{\nu'}\sum_i\mathbb E[T_i(\tau)]D(\nu_i,\nu_i')\ge\log\frac1{4\delta} \tag{33.7}

∎

ImportantWhat the bound says about optimal algorithms

  • Optimal allocation: if α∗(ν)\alpha^*(\nu) attains the sup, then (33.7) is tight only when E[Ti(τ)]/E[τ]→αi∗(ν)\mathbb E[T_i(\tau)]/\mathbb E[\tau]\to\alpha_i^*(\nu). An optimal learner must sample in the proportions α∗(ν)\alpha^*(\nu), which are unknown and must be learned.
  • Uniqueness: α∗(ν)\alpha^*(\nu) is unique for unit-variance Gaussian bandits with a unique optimum, and for unstructured exponential families.
  • Equivalent primal form (Note 6, Exercise 33.3): E[τ]≥min⁡{∥α∥1:α≥0, inf⁡ν′∑iαiD(νi,νi′)≥log⁡(4/δ)}\mathbb E[\tau]\ge\min\{\lVert\alpha\rVert_1 : \alpha\ge0,\ \inf_{\nu'}\sum_i\alpha_iD(\nu_i,\nu_i')\ge\log(4/\delta)\}. This is the cheapest sample budget that refutes every alternative, which is the same allocation problem as the linear-bandit asymptotic constant, with regret weights replaced by sample counts.

ExampleTwo Gaussian arms

With E=EN2(1)\mathcal E = \mathcal E^2_N(1) and Δ=μ1−μ2>0\Delta = \mu_1 - \mu_2 > 0, the cheapest alternative makes the two means equal at their α\alpha-weighted average, costing α(1−α)Δ2\alpha(1-\alpha)\Delta^2:

c∗(ν)−1=12sup⁡α∈[0,1]α(1−α)Δ2=Δ28,α∗=(12,12)c^*(\nu)^{-1} = \frac12\sup_{\alpha\in[0,1]}\alpha(1-\alpha)\Delta^2 = \frac{\Delta^2}8,\qquad\alpha^* = (\tfrac12,\tfrac12)

So E[τ]≥8Δ2log⁡14δ\mathbb E[\tau]\ge\frac8{\Delta^2}\log\frac1{4\delta}: split samples evenly, since both means must be pinned down equally.

TheoremGaussian bandits with known variances (Exercise 33.4)

For E={(N(μi,σi2))i}\mathcal E = \{(\mathcal N(\mu_i,\sigma_i^2))_i\} with arm 1 uniquely optimal:

inf⁡ν~∈Ealt(ν)∑iαiD(νi,ν~i)=12min⁡i>1α1αiΔi2α1σi2+αiσ12\inf_{\tilde\nu\in\mathcal E_{\mathrm{alt}}(\nu)}\sum_i\alpha_iD(\nu_i,\tilde\nu_i) = \frac12\min_{i>1}\frac{\alpha_1\alpha_i\Delta_i^2}{\alpha_1\sigma_i^2 + \alpha_i\sigma_1^2}

  • Two arms: c∗(ν)=2(σ1+σ2)2Δ22c^*(\nu) = \dfrac{2(\sigma_1 + \sigma_2)^2}{\Delta_2^2} (33.8), attained by sampling in proportion to the standard deviations. It grows with either variance.
  • kk arms: 2σ12Δmin⁡2+∑i>12σi2Δi2≤c∗(ν)≤2σ12Δmin⁡2+∑i>12σi2Δi2+22σ12Δmin⁡2∑i>12σi2Δi2(33.10)\frac{2\sigma_1^2}{\Delta_{\min}^2} + \sum_{i>1}\frac{2\sigma_i^2}{\Delta_i^2}\le c^*(\nu)\le\frac{2\sigma_1^2}{\Delta_{\min}^2} + \sum_{i>1}\frac{2\sigma_i^2}{\Delta_i^2} + 2\sqrt{\frac{2\sigma_1^2}{\Delta_{\min}^2}\sum_{i>1}\frac{2\sigma_i^2}{\Delta_i^2}} \tag{33.10} with equality on the right when all σi2/Δi2\sigma_i^2/\Delta_i^2 equal σ12/Δmin⁡2\sigma_1^2/\Delta_{\min}^2.

Reading: each suboptimal arm needs about σi2/Δi2\sigma_i^2/\Delta_i^2 samples to be told apart from the best arm, and the best arm needs about σ12/Δmin⁡2\sigma_1^2/\Delta_{\min}^2 to be told apart from the runner-up. For k=2k = 2 the upper bound equals (33.8) exactly, so it is the lower bound that is loose there, by up to a factor of 2.

Track-and-stop

Setting. E=ENk(1)\mathcal E = \mathcal E^k_N(1), unit-variance Gaussian arms.

DefinitionGLR stopping statistic

With ν^(t)\hat\nu(t) the Gaussian bandit with means μ^(t)\hat\mu(t),

Zt=inf⁡ν′∈Ealt(ν^(t))∑iTi(t)D(ν^i(t),νi′)=12inf⁡μ′∈Ealt(μ^(t))∑iTi(t)(μ^i(t)−μi′)2Z_t = \inf_{\nu'\in\mathcal E_{\mathrm{alt}}(\hat\nu(t))}\sum_iT_i(t)D(\hat\nu_i(t),\nu_i') = \frac12\inf_{\mu'\in\mathcal E_{\mathrm{alt}}(\hat\mu(t))}\sum_iT_i(t)(\hat\mu_i(t) - \mu_i')^2

the empirical evidence against the closest world in which the current leader ı^\hat\imath is not best. In closed form, by the two-arm projection above,

Zt=min⁡j≠ı^Tı^(t)Tj(t)Tı^(t)+Tj(t)⋅(μ^ı^(t)−μ^j(t))22Z_t = \min_{j\ne\hat\imath}\frac{T_{\hat\imath}(t)T_j(t)}{T_{\hat\imath}(t) + T_j(t)}\cdot\frac{(\hat\mu_{\hat\imath}(t) - \hat\mu_j(t))^2}2

(Closed form worked here.) This is a generalised likelihood-ratio test in the tradition of Chernoff (1959) (sequential testing).

IntuitionWhere the stopping rule comes from

(33.6) says a sound learner must accumulate inf⁡ν′∑E[Ti]D(νi,νi′)≳log⁡1δ\inf_{\nu'}\sum\mathbb E[T_i]D(\nu_i,\nu_i')\gtrsim\log\frac1\delta. Replace the unknown ν\nu by ν^(t)\hat\nu(t) and expectations by realised counts, and stop once ZtZ_t exceeds a threshold of about log⁡(t/δ)\log(t/\delta).

AlgorithmTrack-and-stop (Algorithm 21; Garivier–Kaufmann 2016)

Play each arm once; t=kt = k. While Zt<βt(δ)Z_t < \beta_t(\delta):

  • Forced exploration: if min⁡iTi(t)≤t\min_iT_i(t)\le\sqrt t, play the least-sampled arm.
  • Tracking: otherwise play arg⁡max⁡i(tα^i∗(t)−Ti(t))\arg\max_i\big(t\hat\alpha_i^*(t) - T_i(t)\big), where α^∗(t)=α∗(ν^(t))\hat\alpha^*(t) = \alpha^*(\hat\nu(t)) is the plug-in optimal allocation.

Return ψ=i∗(ν^(τ))\psi = i^*(\hat\nu(\tau)) and τ=t\tau = t.

IngredientPurpose
GLR stopping Zt≥βt(δ)Z_t\ge\beta_t(\delta)soundness, and stops as soon as the evidence suffices
Tracking α^∗(t)\hat\alpha^*(t)matches the optimal proportions, so E[τ]\mathbb E[\tau] attains the lower bound
Forced t\sqrt t explorationguarantees ν^(t)→ν\hat\nu(t)\to\nu, so α^∗→α∗\hat\alpha^*\to\alpha^*

TheoremTheorem 33.6 — Track-and-stop is asymptotically optimal

For a suitable βt(δ)\beta_t(\delta), track-and-stop is sound, and for every ν∈E\nu\in\mathcal E with a unique optimal arm

lim⁡δ→0Eνπ[τ]log⁡(1/δ)=c∗(ν)\lim_{\delta\to0}\frac{\mathbb E_{\nu\pi}[\tau]}{\log(1/\delta)} = c^*(\nu)

(only τ\tau depends on δ\delta; the policy does not).

LemmaLemma 33.7 — A sound threshold

With f(x)=ek−x(x/k)kf(x) = e^{k-x}(x/k)^k on [k,∞)[k,\infty) (strictly decreasing from f(k)=1f(k) = 1 to 0, with f−1(δ)=(1+o(1))log⁡1δf^{-1}(\delta) = (1 + o(1))\log\frac1\delta, expressible via the Lambert W function) and

βt(δ)=klog⁡(t2+t)+f−1(δ)\beta_t(\delta) = k\log(t^2 + t) + f^{-1}(\delta)

the rule τ=min⁡{t:Zt≥βt(δ)}\tau = \min\{t : Z_t\ge\beta_t(\delta)\} satisfies P(i∗(ν^(τ))≠i∗(ν))≤δ\mathbb P(i^*(\hat\nu(\tau))\ne i^*(\nu))\le\delta.

ProofA wrong answer means the truth looks like an alternative

If the leader is tied, Zt=0Z_t = 0, so at stopping the leader is unique. A wrong answer means ν∈Ealt(ν^(τ))\nu\in\mathcal E_{\mathrm{alt}}(\hat\nu(\tau)), so by the definition of ZτZ_\tau, 12∑iTi(τ)(μ^i(τ)−μi)2≥βτ(δ)\frac12\sum_iT_i(\tau)(\hat\mu_i(\tau) - \mu_i)^2\ge\beta_\tau(\delta). Bound this with:

Lemma 33.8 (per-arm anytime bound). For i.i.d. unit Gaussians, P(∃n:n2(μ^n−μ)2≥log⁡1δ+log⁡(n(n+1)))≤δ\mathbb P\big(\exists n : \frac n2(\hat\mu_n - \mu)^2\ge\log\frac1\delta + \log(n(n+1))\big)\le\delta, by Corollary 5.5 and a union bound over nn with weights 1n(n+1)\frac1{n(n+1)}.

Proposition 33.9 (combining arms). If each of kk independent sequences satisfies P(∃s:Sis≥g(s)+log⁡1δ)≤δ\mathbb P(\exists s : S_{is}\ge g(s) + \log\frac1\delta)\le\delta with gg increasing, then P(∃s∈Nk:∑iSisi≥kg(∑isi)+x)≤f(x)\mathbb P\big(\exists s\in\mathbb N^k : \sum_iS_{is_i}\ge kg(\sum_is_i) + x\big)\le f(x). Define WiW_i as the smallest per-arm confidence level that still covers arm ii for all ss. Then the WiW_i are independent, stochastically larger than uniform, and ∑iSisi≤kg(∑si)+∑ilog⁡1Wi\sum_iS_{is_i}\le kg(\sum s_i) + \sum_i\log\frac1{W_i}. Then apply the tail bound for ∑log⁡(1/Wi)\sum\log(1/W_i) (Exercise 5.16).

With g(s)=log⁡(s(s+1))g(s) = \log(s(s+1)), ∑isi=t\sum_is_i = t and x=f−1(δ)x = f^{-1}(\delta), this gives the threshold.

∎

RemarkBetter thresholds

The threshold is about 2klog⁡t+log⁡(1/δ)2k\log t + \log(1/\delta). Replacing Lemma 33.8 with a law-of-the-iterated-logarithm bound (peeling, the method of mixtures as in Exercise 20.9, or Bachelier–Lévy for Gaussians) improves it to about klog⁡log⁡t+log⁡(1/δ)k\log\log t + \log(1/\delta). This matters a lot in practice.

ProofProof sketch of Theorem 33.6 (Exercise 33.6)

Forced exploration gives ν^(t)→ν\hat\nu(t)\to\nu. Continuity of α∗\alpha^* at ν\nu (it is unique) gives α^∗(t)→α∗(ν)\hat\alpha^*(t)\to\alpha^*(\nu), and tracking gives T(t)/t→α∗(ν)T(t)/t\to\alpha^*(\nu). Each of these has a “last bad time” with finite expectation. After those times,

Zt≈tinf⁡ν~∈Ealt(ν)∑iαi∗(ν)(μi(ν)−μi(ν~))22=tc∗(ν)Z_t\approx t\inf_{\tilde\nu\in\mathcal E_{\mathrm{alt}}(\nu)}\sum_i\alpha_i^*(\nu)\frac{(\mu_i(\nu) - \mu_i(\tilde\nu))^2}2 = \frac t{c^*(\nu)}

so stopping happens once t/c∗(ν)≥βt(δ)=(1+o(1))log⁡1δt/c^*(\nu)\ge\beta_t(\delta) = (1 + o(1))\log\frac1\delta, i.e. at t≈c∗(ν)log⁡1δt\approx c^*(\nu)\log\frac1\delta.

∎

WarningAsymptotic only

  • The proof works for forced exploration at any rate CtpCt^p with p∈(0,1)p\in(0,1). Nothing singles out t\sqrt t, and no principled tuning is known.
  • Finite-time upper bounds matching Theorem 33.5 are open.
  • Improvements: optimism plus online-learning solutions of the allocation problem (Degenne–Koolen 2019; Degenne et al. 2019); Bayesian top-two Thompson sampling with optimal posterior convergence (Russo 2016), optimal in both senses (Qin et al. 2017).

Fixed-budget best-arm identification

Setting. The horizon nn is given, and the goal is to minimise P(ΔAn+1>0)\mathbb P(\Delta_{A_{n+1}} > 0). The theory is less clean than for fixed confidence: there are no asymptotically matching upper and lower bounds.

WarningUniform exploration is non-adaptive

PUE(ΔAn+1>0)≤∑i:Δi>0e−⌊n/k⌋Δi2/4\mathbb P_{\mathrm{UE}}(\Delta_{A_{n+1}} > 0)\le\sum_{i:\Delta_i>0}e^{-\lfloor n/k\rfloor\Delta_i^2/4}. It wastes samples on obviously bad arms when the gaps differ widely.

AlgorithmSequential halving (Algorithm 22; Karnin et al. 2013)

L=⌈log⁡2k⌉L = \lceil\log_2k\rceil phases, A1=[k]\mathcal A_1 = [k]. In phase ℓ\ell:

  1. play each arm in Aℓ\mathcal A_\ell exactly Tℓ=⌊nL∣Aℓ∣⌋T_\ell = \big\lfloor\frac n{L\lvert\mathcal A_\ell\rvert}\big\rfloor times;
  2. compute μ^iℓ\hat\mu_i^\ell from this phase’s samples only;
  3. keep the top ⌈∣Aℓ∣/2⌉\lceil\lvert\mathcal A_\ell\rvert/2\rceil arms.

Return the single survivor. Each phase uses about n/Ln/L samples, so surviving arms get exponentially more samples per phase.

TheoremTheorem 33.10 — Sequential halving

For ν∈ESGk(1)\nu\in\mathcal E^k_{SG}(1) with μ1≥⋯≥μk\mu_1\ge\cdots\ge\mu_k,

P(ΔAn+1>0)≤3log⁡2(k)exp⁡(−n16H2(μ)log⁡2k),H2(μ)=max⁡i:Δi>0iΔi2\mathbb P(\Delta_{A_{n+1}} > 0)\le3\log_2(k)\exp\Big(-\frac n{16H_2(\mu)\log_2k}\Big),\qquad H_2(\mu) = \max_{i:\Delta_i>0}\frac i{\Delta_i^2}

The algorithm is symmetric in the arms; the ordering only serves to define H2H_2.

ProofSketch (Exercise 33.8; take kk a power of 2)

Step 1: in phase ℓ\ell, if the best arm survived so far, P(μ^1ℓ≤μ^iℓ)≤e−TℓΔi2/4\mathbb P(\hat\mu_1^\ell\le\hat\mu_i^\ell)\le e^{-T_\ell\Delta_i^2/4}.

Step 2: Elimination needs many upsets. Halving removes the best arm only if at least half the arms beat it. Then at least 13\frac13 of the bottom three-quarters Aℓ′\mathcal A_\ell' must beat it: Nℓ≥13∣Aℓ′∣N_\ell\ge\frac13\lvert\mathcal A_\ell'\rvert.

Step 3: Markov on the upset count. Every arm in Aℓ′\mathcal A_\ell' has index at least iℓ=min⁡Aℓ′i_\ell = \min\mathcal A_\ell', so its gap is at least Δiℓ\Delta_{i_\ell}, and iℓ≳∣Aℓ∣/4i_\ell\gtrsim\lvert\mathcal A_\ell\rvert/4. Hence E[Nℓ]≤∣Aℓ′∣exp⁡(−nΔiℓ216iℓlog⁡2k)\mathbb E[N_\ell]\le\lvert\mathcal A_\ell'\rvert\exp\big(-\frac{n\Delta_{i_\ell}^2}{16i_\ell\log_2k}\big), and Markov gives P(1 eliminated in phase ℓ)≤3exp⁡(−nΔiℓ216iℓlog⁡2k)≤3e−n/(16H2log⁡2k)\mathbb P(1\text{ eliminated in phase }\ell)\le3\exp\big(-\frac{n\Delta_{i_\ell}^2}{16i_\ell\log_2k}\big)\le3e^{-n/(16H_2\log_2k)}.

Step 4: union bound over the log⁡2k\log_2k phases.

∎

DefinitionComplexity measures

H1(μ)=∑i=1kmin⁡{1Δi2,1Δmin⁡2},H2(μ)≤H1(μ)≤(1+log⁡k)H2(μ)(33.9)H_1(\mu) = \sum_{i=1}^k\min\Big\{\frac1{\Delta_i^2},\frac1{\Delta_{\min}^2}\Big\},\qquad H_2(\mu)\le H_1(\mu)\le(1 + \log k)H_2(\mu) \tag{33.9}

H1H_1 is the natural “total samples needed” (each arm about 1/Δi21/\Delta_i^2, the best arm 1/Δmin⁡21/\Delta_{\min}^2, as in fixed confidence). H2H_2 is the “hardest-tail” version that sequential halving’s phase structure produces.

ProofBoth inequalities (Exercise 33.7)

H1≤LH2H_1\le LH_2 with L=1+∑i=3k1i≤1+log⁡kL = 1 + \sum_{i=3}^k\frac1i\le1 + \log k: arms 1 and 2 contribute 2/Δ22≤H22/\Delta_2^2\le H_2, and for i≥3i\ge3, 1/Δi2≤H2/i1/\Delta_i^2\le H_2/i by the definition of H2H_2.

H2≤H1H_2\le H_1: for the maximising ii, gaps are sorted, so i/Δi2≤∑j≤imin⁡{1/Δj2,1/Δmin⁡2}≤H1i/\Delta_i^2\le\sum_{j\le i}\min\{1/\Delta_j^2,1/\Delta_{\min}^2\}\le H_1.

Both are tight: equal gaps make H1=H2H_1 = H_2 up to constants, and Δi2∝i\Delta_i^2\propto i makes H1≈LH2H_1\approx LH_2.

∎

ExampleSequential halving versus uniform exploration

Gap profileH2H_2SH exponentUE exponentWinner
all gaps =Δ= \Deltak/Δ2k/\Delta^2Θ(nΔ2/(klog⁡k))\Theta(n\Delta^2/(k\log k))Θ(nΔ2/k)\Theta(n\Delta^2/k)UE, by log⁡k\log k
Δ2=Δ\Delta_2 = \Delta small, others 1Θ(1/Δ2)\Theta(1/\Delta^2)Θ(nΔ2/log⁡k)\Theta(n\Delta^2/\log k)Θ(nΔ2/k)\Theta(n\Delta^2/k)SH, by about k/log⁡kk/\log k

Adaptivity pays when gaps are heterogeneous. UE wastes samples on arms that are clearly bad. Sequential halving is known to be roughly optimal (lower bounds: Carpentier–Locatelli 2016).


Notes

RemarkConceptual points

  • An exploration dilemma remains. No reward trade-off exists, but the optimal allocation depends on the unknown ν\nu, so samples must be split between learning how to explore and actually exploring.
  • Is best-arm identification the right goal? In practice any arm with a small enough gap is fine, which simple regret captures better. Rsimple≤max⁡iΔi⋅P(ΔAn+1>0)R^{\mathrm{simple}}\le\max_i\Delta_i\cdot\mathbb P(\Delta_{A_{n+1}} > 0) is sometimes tight, sometimes loose.
  • Open: instance-dependent upper and lower bounds on simple regret, and the full distribution of ΔAn+1\Delta_{A_{n+1}}, are not understood. This is arguably the most practical setting.
  • Optimal experimental design: if the goal is reliable information about all differences between treatments, that is the design problem, not best-arm identification.

TheoremPAC identification (Exercise 33.11)

An (ε,δ)(\varepsilon,\delta)-PAC learner stops with P(ΔAτ≥ε)≤δ\mathbb P(\Delta_{A_\tau}\ge\varepsilon)\le\delta.

  • Naive: sample each arm about 1ε2log⁡kδ\frac1{\varepsilon^2}\log\frac k\delta times, so E[τ]≤Ckε2log⁡kδ\mathbb E[\tau]\le\frac{Ck}{\varepsilon^2}\log\frac k\delta.
  • Median elimination (Even-Dar et al. 2002): halve the arm set each phase with geometrically tightening (εℓ,δℓ)(\varepsilon_\ell,\delta_\ell), giving E[τ]≤Ckε2log⁡1δ\mathbb E[\tau]\le\frac{Ck}{\varepsilon^2}\log\frac1\delta, with no log⁡k\log k.
  • This is tight up to constants in the worst case. PAC is where the ML pure exploration literature began (Even-Dar, Mannor, Tsitsiklis, 2002–2006), restarted by Bubeck et al. (2009) and Audibert–Bubeck (2010).

TheoremOrdinal optimisation needs no dependence on kk (Exercise 33.9)

To find an arm in the top α\alpha-fraction (by quantile μα∗\mu^*_\alpha), just sample candidates at random: with n≥log⁡(1/δ)/log⁡(1/(1−α))n\ge\log(1/\delta)/\log(1/(1-\alpha)) independent draws Xi∼PX_i\sim P, max⁡iμ(Xi)≥μα∗\max_i\mu(X_i)\ge\mu_\alpha^* with probability 1−δ1-\delta, independent of the number of arms. Ordinal targets (“find a good one”) are exponentially easier than cardinal ones (“estimate the best value”, error about n−1/2n^{-1/2}; Ho et al. 1992). The price is uncontrolled simple regret.

RemarkRelated literatures

  • Ranking and selection (statistics, 1950s on): Chan–Lai (2006) give a sound, asymptotically optimal track-and-stop-like procedure for exponential families. OCBA (optimal computing budget allocation; Chen et al. 2000) is a Bayesian heuristic for the Gaussian optimal allocation, a precursor to α∗\alpha^* (Glynn–Juneja 2015 bridge the literatures).
  • Beyond finite arms: linear BAI (Soare et al. 2014, the origin of the clouds-for-optimism example), continuous arms (Valko et al. 2013), tree search (Garivier et al. 2016), combinatorial (Chen et al. 2014).
  • Zeroth-order (derivative-free) stochastic optimisation: continuous A⊆Rd\mathcal A\subseteq\mathbb R^d with only noisy function values. For strongly convex and smooth objectives, the minimax simple regret is Θ(d2/n)\Theta(\sqrt{d^2/n}) (Shamir 2013). Noise-injection gradient estimates are limited to Ω(n−1/3)\Omega(n^{-1/3}) (Hu et al. 2016) versus the optimal O(n−1/2)O(n^{-1/2}), yet they win empirically. With unbiased gradient estimates, mirror descent is optimal.
  • Adversarial BAI (Jamieson–Talwalkar 2016: successive halving for hyperparameter search; Hyperband) and max-armed bandits (maximise the single largest reward).

Quick reference

ObjectStatementNote
Simple regretE[ΔAn+1]\mathbb E[\Delta_{A_{n+1}}]only the recommendation counts
Uniform explorationmin⁡Δ(Δ+∑Δi>ΔΔie−⌊n/k⌋Δi2/4)\min_\Delta(\Delta + \sum_{\Delta_i>\Delta}\Delta_ie^{-\lfloor n/k\rfloor\Delta_i^2/4})exponential in nn; worst case klog⁡k/n\sqrt{k\log k/n}
Lower boundΩ(k/n)\Omega(\sqrt{k/n})Chapter 15 technique
Frequency recommendationRsimple=Rn/nR^{\mathrm{simple}} = R_n/nMOSS gives O(k/n)O(\sqrt{k/n})
Caveatcumulative-regret algorithms misidentify with polynomial probabilitywasteful on easy instances
SoundnessP(τ<∞, Δψ>0)≤δ\mathbb P(\tau < \infty,\ \Delta_\psi > 0)\le\deltalike consistency
Characteristic timec∗(ν)−1=sup⁡αinf⁡alt∑αiD(νi,νi′)c^*(\nu)^{-1} = \sup_\alpha\inf_{\mathrm{alt}}\sum\alpha_iD(\nu_i,\nu_i')
Lower boundE[τ]≥c∗(ν)log⁡14δ\mathbb E[\tau]\ge c^*(\nu)\log\frac1{4\delta}stopped change of measure
Two Gaussiansc∗=8/Δ2c^* = 8/\Delta^2; 2(σ1+σ2)2/Δ22(\sigma_1 + \sigma_2)^2/\Delta^2 with known variances
GLR statisticZt=min⁡j≠ı^Tı^TjTı^+Tj(μ^ı^−μ^j)22Z_t = \min_{j\ne\hat\imath}\frac{T_{\hat\imath}T_j}{T_{\hat\imath} + T_j}\frac{(\hat\mu_{\hat\imath} - \hat\mu_j)^2}2Gaussian
Thresholdklog⁡(t2+t)+f−1(δ)k\log(t^2 + t) + f^{-1}(\delta), f−1(δ)∼log⁡1δf^{-1}(\delta)\sim\log\frac1\deltaLIL versions are better
Track-and-stopE[τ]/log⁡(1/δ)→c∗(ν)\mathbb E[\tau]/\log(1/\delta)\to c^*(\nu)track α^∗\hat\alpha^*, force t\sqrt t
Sequential halving3log⁡2k⋅e−n/(16H2log⁡2k)3\log_2k\cdot e^{-n/(16H_2\log_2k)}H2=max⁡ii/Δi2H_2 = \max_ii/\Delta_i^2
ComplexitiesH2≤H1≤(1+log⁡k)H2H_2\le H_1\le(1 + \log k)H_2both tight
PACCkε2log⁡1δ\frac{Ck}{\varepsilon^2}\log\frac1\deltamedian elimination
Ordinallog⁡(1/δ)/log⁡(1/(1−α))\log(1/\delta)/\log(1/(1-\alpha)) samplesindependent of kk

Facts to keep to hand

  • Pure exploration rewards answers, not rewards. Simple regret decays exponentially for fixed instances, and the worst case is k/n\sqrt{k/n}. Converting a cumulative-regret algorithm via play frequencies is minimax-optimal but wasteful on easy instances: its error decays only polynomially.
  • Fixed confidence is a sequential hypothesis test against the closest wrong world. The characteristic time c∗(ν)c^*(\nu) comes from an allocation game: choose sampling proportions to maximise the evidence rate against the hardest alternative. Any sound learner needs about c∗(ν)log⁡(1/δ)c^*(\nu)\log(1/\delta) samples.
  • Track-and-stop attains it by plugging in estimates, tracking the optimal proportions with a little forced exploration, and stopping on a GLR statistic with an anytime threshold. It is asymptotic, with open finite-time questions.
  • Fixed budget favours adaptive elimination. Sequential halving’s exp⁡(−n/(H2log⁡k))\exp(-n/(H_2\log k)) beats uniform exploration when gaps are heterogeneous and loses only log⁡k\log k when they are equal.

References

  • Lattimore & Szepesvári, Bandit Algorithms — Chapter 33
  • Garivier & Kaufmann, “Optimal best arm identification with fixed confidence” (2016)
  • Karnin, Koren & Somekh, “Almost optimal exploration in multi-armed bandits” (2013)
  • Even-Dar, Mannor & Mansour, “PAC bounds for multi-armed bandit and Markov decision processes” (2002)

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