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Adaptive Restore algorithm
Christian P. Robert
U. Paris Dauphine & Warwick U.
0 10 20 30 40 50
−2
0
2
4
x
t
Joint work with H Krimm, M Pollock, AQ Wang
and GO Roberts
arXiv:2210.09901
EaRly Call
Incoming 2023-2030 ERC funding for postdoctoral
collaborations with
I Michael Jordan (Berkeley)
I Eric Moulines (Paris)
I Gareth Roberts (Warwick)
I myself (Paris)
MCMC regeneration
Reversibility attached with (sub-efficient) random walk
behaviour
Recent achievements in non-reversible MCMC with PDMPs
[Bouchard-Côté et al., 2018; Bierkens et al., 2019]
Linked with regeneration
[Nummelin, 1978; Mykland et al., X, 1995]
Restore process
Take {Yt}t≥0 diffusion / jump process on Rd with infinitesimal
generator LY and Y0 ∼ µ —e..g., LY = ∆/2 for Brownian—
Regeneration rate κ with associated tour length
τ = inf t ≥ 0 :
Zt
0
κ(Ys)ds ≥ ξ ξ ∼ Exp(1)
Take {Y
(i)
t }t≥0, τ(i)
∞
i=0
iid realisations
Regeneration times Tj =
Pj−1
i=0 τ(i)
Restore process {Xt}t≥0 given by:
Xt =
∞
X
i=0
I[Ti,Ti+1)(t)Y
(i)
t−Ti
[Wang et al., 2021]
Restore process
0 2 4 6 8
−2
−1
0
1
2
x
t
Path of 5 tours of Brownian Restore with
π ≡ N(0, 12), µ ≡ N(0, 22) and C chosen so that
minx∈R κ(x) = 0, with K = 200 and Λ0 = 1000. First and last
output states shown by green dots and red crosses
Stationarity of Restore
Infinitesimal generator of {Xt}t≥0
LXf(x) = LYf(x) + κ(x)
Z
[f(y) − f(x)]µ(y)dy
Regeneration rate κ chosen as1
κ(x) =
L†
Yπ(x)
π(x)
+ C
µ(x)
π(x)
makes {Xt}t≥0 π-invariant
Z
Rd
LXf(x)π(x)dx = 0
1
L†
Y formal adjoint
Restore sampler
Rewrite
κ(x) =
L†
Yπ(x)
π(x)
+ C
µ(x)
π(x)
= κ̃(x) + C
µ(x)
π(x)
with
I κ̃ partial regeneration rate
I C  0 regeneration constant and
I Cµ regeneration measure, large enough so that κ(·)  0
Resulting Monte Carlo method called Restore Sampler
[Wang et al., 2021]
Restore sampler
Given π-invariance of {Xt}t≥0
Eπ[f] = EX0∼µ
h Zτ(0)
0
f(Xs)dx
i.
EX0∼µ[τ(0)
]
and a.s. convergence of ergodic averages:
1
t
Zt
0
f(Xs)ds → Eπ[f]
For iid Zi :=
RTi+1
Ti
f(Xs)ds, CLT
√
n
ZTn
0
f(Xs)dx

Tn − Eπ[f]
!
→ N(0, σ2
f)
where
σ2
f := EX0∼µ

Z0 − τ(0)
Eπ[f]
2
.
EX0∼µ[τ(0)
]
2
Restore sampler
Given π-invariance of {Xt}t≥0
Eπ[f] = EX0∼µ
h Zτ(0)
0
f(Xs)dx
i.
EX0∼µ[τ(0)
]
and a.s. convergence of ergodic averages:
1
t
Zt
0
f(Xs)ds → Eπ[f]
Estimator variance depends on expected tour length: choose µ
towards long tours
[Wang et al., 2020]
Minimal regeneration
Minimal regeneration measure, C+µ+ corresponding to smallest
possible rate
κ+
(x) := κ̃(x) ∨ 0 = κ̃(x) + C+ µ+(x)
π(x)
leading to
µ+
(x) =
1
C+
[0 ∨ −κ̃(x)]π(x)
Frequent regeneration not necessarily detrimental, except when
when µ is not well-aligned to π, leading to wasted computation
Minimal Restore maximizes expected tour length / minimizes
asymptotic variance
[Wang et al., 2021]
Constant approximation
When target misses normalizing constant
π(x) = π̃(x)

Z,
take energy U(x) := − log π(x) = log Z − log π̃(x)
When {Yt}t≥0 Brownian, κ̃ function of ∇U(x) and ∆U(x)
Constant approximation
When target misses normalizing constant
π(x) = π̃(x)

Z,
take energy U(x) := − log π(x) = log Z − log π̃(x)
When {Yt}t≥0 Brownian, κ̃ function of ∇U(x) and ∆U(x)
In regeneration rate, Z “absorbed” into C
κ(x) = κ̃(x) + C
µ(x)

π̃(x)
Z
 = κ̃(x) + CZ
µ(x)
π̃(x)
= κ̃(x) + C̃
µ(x)
π̃(x)
,
where C̃ = CZ set by user. Since C = 1/Eµ[τ] Using n tours
with simulation time T, Z ≈ C̃T

n.
Adapting Restore
Adaptive Restore process defined by enriching underlying
continuous-time Markov process with regenerations at rate κ+
from distribution µt at time t
Convergence of (µt, πt) to (µ+, π): a.s. convergence of stochastic
approximation algorithms for discrete-time processes on
compact spaces
[Benaı̈m et al., 2018]
Adapting Restore
Initial regeneration distribution µ0 and updates by addition of
point masses
µt(x) =

µ0(x), if N(t) = 0,
t
a+t
1
N(t)
PN(t)
i=1 δXζi
(x) + a
a+t µ0(x), if N(t)  0,
where a  0 constant2 and ζi arrival times of inhomogeneous
Poisson process (N(t) : t ≥ 0) with rate κ−(Xt)
κ−
(x) := [0 ∨ −κ̃(x)]
Poisson process simulated by Poisson thinning, under
assumption
K−
:= sup
x∈X
κ−
(x)  0
2
Discrete measure dominance time: when regeneration most likely to be
from discrete measure in mixture distribution
Adaptive Brownian Restore Algorithm
t ← 0, E ← ∅, i ← 0, X ∼ µ0.
while i  n do
τ̃ ∼ Exp(K+
), s ∼ Exp(Λ0), ζ̃ ∼ Exp(K−
).
if τ̃  s and τ̃  ζ̃ then
X ∼ N(X, τ̃), t ← t + τ̃, u ∼ U[0, 1].
if u  κ+
(X)/K+
then
if |E| = 0 then
X ∼ µ0.
else
X ∼ U(E) with probability t/(a + t), else X ∼ µ0.
end
i ← i + 1.
end
else if s  τ̃ and s  ζ̃ then
X ∼ N(X, s), t ← t + s, record X, t, i.
else
X ∼ N(X, ζ̃), t ← t + ζ̃, u ∼ U[0, 1].
If u  κ−
(X)/K−
then E ← E ∪ {X}.
end
end
Adaptive Brownian Restore Algorithm
0 10 20 30 40 50
−2
0
2
4
x
t
Path of an Adaptive Brownian Restore process with
π ≡ N(0, 1), µ0 ≡ N(2, 1), a = 10. Green dots and red crosses
show the first and last output states of each tour.
Calibrating initial regeneration and parameters
I µ0 as initial approximate π, e.g., µ0 ≡ Nd(0, I) with π
pre-transformed
I Tradeoff in choosing a discrete measure dominance time:
smaller choices of a lead to faster convergence while larger
value of a produces more regenerations from µ0, hence
better exploration (range of a between 1,000 and 10,000)
I K+ and K− based on quantiles of κ̃, from preliminary
MCMC run
I or, assuming π close to Gaussian, initial guess of K− is d/2
and initial estimate for K+ based on chi-squared
approximation
Final remarks
I Adaptive Restore benefits from global moves, for targets
hard to approximate with a parametric distribution, with
large moves across the space
I Use of minimal regeneration rate makes simulation
computationally feasible and more likely in areas where π
has significant mass
I In comparison to e.g. Random Walk Metropolis, process
can be slow but higher efficiency in sampling distributions
with skewed tails

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Adaptive Restore algorithm for efficient MCMC sampling

  • 1. Adaptive Restore algorithm Christian P. Robert U. Paris Dauphine & Warwick U. 0 10 20 30 40 50 −2 0 2 4 x t Joint work with H Krimm, M Pollock, AQ Wang and GO Roberts arXiv:2210.09901
  • 2. EaRly Call Incoming 2023-2030 ERC funding for postdoctoral collaborations with I Michael Jordan (Berkeley) I Eric Moulines (Paris) I Gareth Roberts (Warwick) I myself (Paris)
  • 3. MCMC regeneration Reversibility attached with (sub-efficient) random walk behaviour Recent achievements in non-reversible MCMC with PDMPs [Bouchard-Côté et al., 2018; Bierkens et al., 2019] Linked with regeneration [Nummelin, 1978; Mykland et al., X, 1995]
  • 4. Restore process Take {Yt}t≥0 diffusion / jump process on Rd with infinitesimal generator LY and Y0 ∼ µ —e..g., LY = ∆/2 for Brownian— Regeneration rate κ with associated tour length τ = inf t ≥ 0 : Zt 0 κ(Ys)ds ≥ ξ ξ ∼ Exp(1) Take {Y (i) t }t≥0, τ(i) ∞ i=0 iid realisations Regeneration times Tj = Pj−1 i=0 τ(i) Restore process {Xt}t≥0 given by: Xt = ∞ X i=0 I[Ti,Ti+1)(t)Y (i) t−Ti [Wang et al., 2021]
  • 5. Restore process 0 2 4 6 8 −2 −1 0 1 2 x t Path of 5 tours of Brownian Restore with π ≡ N(0, 12), µ ≡ N(0, 22) and C chosen so that minx∈R κ(x) = 0, with K = 200 and Λ0 = 1000. First and last output states shown by green dots and red crosses
  • 6. Stationarity of Restore Infinitesimal generator of {Xt}t≥0 LXf(x) = LYf(x) + κ(x) Z [f(y) − f(x)]µ(y)dy Regeneration rate κ chosen as1 κ(x) = L† Yπ(x) π(x) + C µ(x) π(x) makes {Xt}t≥0 π-invariant Z Rd LXf(x)π(x)dx = 0 1 L† Y formal adjoint
  • 7. Restore sampler Rewrite κ(x) = L† Yπ(x) π(x) + C µ(x) π(x) = κ̃(x) + C µ(x) π(x) with I κ̃ partial regeneration rate I C 0 regeneration constant and I Cµ regeneration measure, large enough so that κ(·) 0 Resulting Monte Carlo method called Restore Sampler [Wang et al., 2021]
  • 8. Restore sampler Given π-invariance of {Xt}t≥0 Eπ[f] = EX0∼µ h Zτ(0) 0 f(Xs)dx i. EX0∼µ[τ(0) ] and a.s. convergence of ergodic averages: 1 t Zt 0 f(Xs)ds → Eπ[f] For iid Zi := RTi+1 Ti f(Xs)ds, CLT √ n ZTn 0 f(Xs)dx Tn − Eπ[f] ! → N(0, σ2 f) where σ2 f := EX0∼µ Z0 − τ(0) Eπ[f] 2 . EX0∼µ[τ(0) ] 2
  • 9. Restore sampler Given π-invariance of {Xt}t≥0 Eπ[f] = EX0∼µ h Zτ(0) 0 f(Xs)dx i. EX0∼µ[τ(0) ] and a.s. convergence of ergodic averages: 1 t Zt 0 f(Xs)ds → Eπ[f] Estimator variance depends on expected tour length: choose µ towards long tours [Wang et al., 2020]
  • 10. Minimal regeneration Minimal regeneration measure, C+µ+ corresponding to smallest possible rate κ+ (x) := κ̃(x) ∨ 0 = κ̃(x) + C+ µ+(x) π(x) leading to µ+ (x) = 1 C+ [0 ∨ −κ̃(x)]π(x) Frequent regeneration not necessarily detrimental, except when when µ is not well-aligned to π, leading to wasted computation Minimal Restore maximizes expected tour length / minimizes asymptotic variance [Wang et al., 2021]
  • 11. Constant approximation When target misses normalizing constant π(x) = π̃(x) Z, take energy U(x) := − log π(x) = log Z − log π̃(x) When {Yt}t≥0 Brownian, κ̃ function of ∇U(x) and ∆U(x)
  • 12. Constant approximation When target misses normalizing constant π(x) = π̃(x) Z, take energy U(x) := − log π(x) = log Z − log π̃(x) When {Yt}t≥0 Brownian, κ̃ function of ∇U(x) and ∆U(x) In regeneration rate, Z “absorbed” into C κ(x) = κ̃(x) + C µ(x) π̃(x) Z = κ̃(x) + CZ µ(x) π̃(x) = κ̃(x) + C̃ µ(x) π̃(x) , where C̃ = CZ set by user. Since C = 1/Eµ[τ] Using n tours with simulation time T, Z ≈ C̃T n.
  • 13. Adapting Restore Adaptive Restore process defined by enriching underlying continuous-time Markov process with regenerations at rate κ+ from distribution µt at time t Convergence of (µt, πt) to (µ+, π): a.s. convergence of stochastic approximation algorithms for discrete-time processes on compact spaces [Benaı̈m et al., 2018]
  • 14. Adapting Restore Initial regeneration distribution µ0 and updates by addition of point masses µt(x) = µ0(x), if N(t) = 0, t a+t 1 N(t) PN(t) i=1 δXζi (x) + a a+t µ0(x), if N(t) 0, where a 0 constant2 and ζi arrival times of inhomogeneous Poisson process (N(t) : t ≥ 0) with rate κ−(Xt) κ− (x) := [0 ∨ −κ̃(x)] Poisson process simulated by Poisson thinning, under assumption K− := sup x∈X κ− (x) 0 2 Discrete measure dominance time: when regeneration most likely to be from discrete measure in mixture distribution
  • 15. Adaptive Brownian Restore Algorithm t ← 0, E ← ∅, i ← 0, X ∼ µ0. while i n do τ̃ ∼ Exp(K+ ), s ∼ Exp(Λ0), ζ̃ ∼ Exp(K− ). if τ̃ s and τ̃ ζ̃ then X ∼ N(X, τ̃), t ← t + τ̃, u ∼ U[0, 1]. if u κ+ (X)/K+ then if |E| = 0 then X ∼ µ0. else X ∼ U(E) with probability t/(a + t), else X ∼ µ0. end i ← i + 1. end else if s τ̃ and s ζ̃ then X ∼ N(X, s), t ← t + s, record X, t, i. else X ∼ N(X, ζ̃), t ← t + ζ̃, u ∼ U[0, 1]. If u κ− (X)/K− then E ← E ∪ {X}. end end
  • 16. Adaptive Brownian Restore Algorithm 0 10 20 30 40 50 −2 0 2 4 x t Path of an Adaptive Brownian Restore process with π ≡ N(0, 1), µ0 ≡ N(2, 1), a = 10. Green dots and red crosses show the first and last output states of each tour.
  • 17. Calibrating initial regeneration and parameters I µ0 as initial approximate π, e.g., µ0 ≡ Nd(0, I) with π pre-transformed I Tradeoff in choosing a discrete measure dominance time: smaller choices of a lead to faster convergence while larger value of a produces more regenerations from µ0, hence better exploration (range of a between 1,000 and 10,000) I K+ and K− based on quantiles of κ̃, from preliminary MCMC run I or, assuming π close to Gaussian, initial guess of K− is d/2 and initial estimate for K+ based on chi-squared approximation
  • 18. Final remarks I Adaptive Restore benefits from global moves, for targets hard to approximate with a parametric distribution, with large moves across the space I Use of minimal regeneration rate makes simulation computationally feasible and more likely in areas where π has significant mass I In comparison to e.g. Random Walk Metropolis, process can be slow but higher efficiency in sampling distributions with skewed tails