Weak Convergence and Optimal Scaling of Random Walk Metropolis Algorithms: Langevin Diffusion Limit of the First CoordinateResearch Paper
Motivation
The random walk Metropolis algorithm is one of the most widely used Markov chain Monte Carlo methods for sampling from a density known up to a constant. Its one tuning parameter is the variance of the Gaussian proposal. If the variance is too small, the chain accepts almost every move but barely moves. If it is too large, it proposes long jumps that are almost always rejected. Practitioners need a rule for choosing it, and the rule has to work in high dimension, where both failure modes are severe.
Roberts, Gelman and Gilks (Ann. Appl. Probab. 7(1), 1997) gave the first rigorous answer for product targets. As the dimension grows, one coordinate of the suitably speeded-up chain converges to a Langevin diffusion. The speed of that diffusion is an explicit function of the proposal scale, and maximising it gives the rule "tune the proposal so that about 23% of proposals are accepted". This rule, and the 2.38/√I scaling behind it, is now standard advice in applied Bayesian statistics.
Setting
Let be a target density: positive, , integrating to one, with Lipschitz, and satisfying the moment conditions (A1) and (A2) . Here . In dimension the target is the product density on .
Fix a scale and set . The random walk Metropolis chain moves as follows. From it proposes . It sets with probability , and otherwise. The chain starts from , which is stationary for it. The speeded-up first coordinate is for .
Let be the standard normal distribution function, and define the roughness . The speed and the limiting acceptance rate are
The Langevin generator is . It generates the Langevin diffusion .
Formalization targets
Goal: Theorem 1.1
As ,
where denotes weak convergence in the Skorokhod topology, has density , and is the Langevin diffusion with speed . The limit is asserted to exist. No constants appear in the statement beyond those the model defines.
Milestones: the proof
- Lemma 2.1. The stationary chain stays in the sets up to time with probability tending to one. Here and are the empirical averages of and over coordinates .
- Proposition 2.2. .
- Lemma 2.3. , where is the second-order part of the log acceptance ratio.
- Proposition 2.4. for .
- Lemma 2.5. for .
- Lemma 2.6. The discrete generator converges to uniformly on , for a function of the first coordinate (stated with bounded , the assumption its proof uses).
Milestones: the optimal-scaling corollary
- Corollary 1.2 (i). .
- Corollary 1.2 (ii). is maximised at , with and , to the printed precision.
Significance
Theorem 1.1 shows that, run for times as many steps, the chain in dimension looks like a fixed one-dimensional diffusion. The algorithm's cost therefore grows linearly in dimension, and its efficiency is measured by the single number . Corollary 1.2 turns this into the 0.234 acceptance-rate heuristic and the scaling. The same diffusion-limit method has since been applied to the Metropolis-adjusted Langevin algorithm, to Hamiltonian Monte Carlo and to non-product targets.
The theorem is proved on paper; it has no machine-checked proof. A formal development would give the first verified diffusion limit of an MCMC algorithm. It would also yield reusable components: the Metropolis chain on as a measurable random mapping, a martingale-problem characterisation of one-dimensional diffusions, and a Gaussian computation (Proposition 2.4) that recurs throughout the optimal-scaling literature.
Difficulty
The obvious approach, a Taylor expansion of the log acceptance ratio, gives a sum of terms of size . That sum does not concentrate uniformly over the state space, since the coordinates are arbitrary. The expansion is controlled only on the sets , where the empirical averages and are close to . The limit therefore holds only after showing that the chain rarely leaves over a time horizon of steps. A pointwise law of large numbers is not enough for that, because the bound has to survive a union over steps. Passing from generator convergence on a set of high probability to weak convergence of processes requires the Ethier–Kurtz convergence theory: a core for the limit generator, and convergence of processes that are not themselves Markov. None of this theory is in Mathlib.
Formalization scope
All declarations live in the namespace Roberts1997.RWM. The following conventions are fixed.
- Vectors are
Fin n → ℝ, and the paper's first coordinate is index0. Its coordinates are the indicesi ≠ 0. - is computed in . All statements concern or large .
- is assumed. The paper leaves it implicit, but .
- " is a density" is read as . The moment conditions are read as integrability of and . The standing assumption " is Lipschitz" (p. 111) is carried by every statement.
- The chain is built as a random mapping on an explicit probability space: , with i.i.d. standard normal innovations and uniform acceptance variables. Theorem 1.1's initial condition (components i.i.d. , shared across dimensions) is read as "the -th chain starts from ", since weak convergence depends only on the law of each .
- " satisfies the Langevin SDE" is read as "the law of solves the martingale problem for on , with continuous paths and initial law ". This is equivalent by Ethier–Kurtz (1986), Ch. 5, Prop. 3.1 and Thm 3.3, and follows the platform definition
EthierKurtz_IsContinuousDiffusionLaw. - "" is read as the existence of an almost-sure coupling in which càdlàg copies of the converge to a continuous Langevin path uniformly on compact time intervals. For a continuous limit this is equivalent to weak convergence in , by Skorokhod's representation theorem and Ethier–Kurtz Ch. 3, Thm 1.8, Prop. 5.3 and Prop. 7.1. It follows the platform encoding of Ethier–Kurtz Theorem 7.4.1.
- "" and "" are stated as eventual uniform bounds. This avoids real suprema, whose value on an unbounded set is a default.
- In Lemma 2.6, "as " is a misprint for , and "" in (1.2) is read as .
- Corollary 1.2 (ii) is stated for an arbitrary constant . "To two decimal places" is read as explicit rounding intervals: is read to one decimal, and all maximisers over are covered.
The goal cannot be satisfied trivially. The limit law must exist, and it must be a probability measure whose initial marginal is , so the zero measure is excluded. The coupled copies must carry exactly the laws of the paths , not an arbitrary process with the same one-time marginals.
The statements carry the paper's hypotheses, with one exception. The printed proof of Lemma 2.6 bounds , which Theorem 1.1 does not assume, and under alone the uniform convergence over claimed by Lemma 2.6 fails (narrow spikes of far out let a positive fraction of the coordinates shift the log acceptance ratio by a constant while and stay close to ). Lemma 2.6 is therefore stated with the proof's own assumption, with bounded, named as an addition. Theorem 1.1 and the other results keep the paper's hypotheses.
A complete development needs several pieces not yet available: path spaces and the Skorokhod topology (or the coupling reading), the martingale problem and its well-posedness for Lipschitz drift, and the Ethier–Kurtz theorem on convergence of generators on sets of high probability. Proofs of the Gaussian milestones (Propositions 2.2 and 2.4, Lemma 2.5) and of Corollary 1.2 (ii) are independent of this infrastructure and are welcome contributions.
Selected references
- G. O. Roberts, A. Gelman, W. R. Gilks, Weak convergence and optimal scaling of random walk Metropolis algorithms, Ann. Appl. Probab. 7(1), 110–120, 1997. https://doi.org/10.1214/aoap/1034625254
- S. N. Ethier, T. G. Kurtz, Markov Processes: Characterization and Convergence, Wiley, 1986. https://doi.org/10.1002/9780470316658
- A. Gelman, G. O. Roberts, W. R. Gilks, Efficient Metropolis jumping rules, Bayesian Statistics 5, Oxford University Press, 599–607, 1996.
- G. O. Roberts, J. S. Rosenthal, Optimal scaling for various Metropolis–Hastings algorithms, Statistical Science 16(4), 351–367, 2001. https://doi.org/10.1214/ss/1015346320