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Diffusion Processes

Continuous Markov paths with drift plus noise. Their generators, time scales and stationary laws decide how fast samplers mix and how diffusion models noise data.

Two Langevin paths from opposite starts merge within 2 units and then wander jointly inside the stationary width
Two Langevin paths from opposite starts merge within 2 units and then wander jointly inside the stationary width

Why Does This Exist?

Langevin sampling, diffusion noising and stochastic optimisation all run diffusions dX=−∇V dt+2 dWdX = -\nabla V\,dt + \sqrt{2}\,dW with potential VV shaping the landscape. Practitioners set step counts, noise scales and temperatures by feel. Without mixing theory those choices are blind: too few steps leave bias, too many waste compute, wrong temperature targets the wrong law.

Diffusion process theory gives the dials. The generator encodes local motion, the stationary density is proportional to exp⁡(−V)\exp(-V), and curvature (convexity of VV) sets exponential contraction rates. Coupling arguments turn curvature into wall-clock mixing times. Stochastic differential equations define the paths; Fokker-Planck tracks their densities; here the focus is long-run behaviour samplers live on.

Prerequisite in one paragraph. You need the Markov property (future depends only on now) and the stationary density π\proportionallyexp⁡(−V)\pi \proportionally \exp(-V). Strong convexity means VV curves upward at least quadratically. Background is in Markov chains and Brownian motion.

Think of It Like This

Two leaves in a funnel with shaking

Drop two leaves on opposite rims of a funnel and shake the table. Both slide down, jitter sideways, and soon swirl together at the neck. After merging they move jointly: same region, same spread, past starts forgotten. Steeper funnels merge faster; flat trays never merge.

Diffusions couple the same way. Drift funnels paths together, noise shakes them, and curvature is steepness. The merged law is stationarity; the merge time is mixing.

Where the analogy stops: leaves collide physically while couplings are mathematical joint constructions. Multimodal potentials are multi-funnel trays where crossings take exponential time, which one funnel hides.

How It Actually Works

Langevin diffusion dX=−∇V dt+2 dWdX = -\nabla V\,dt + \sqrt{2}\,dW has stationary π\proportionallye−V\pi \proportionally e^{-V} and generator Lf=−∇V⋅∇f+ΔfLf = -\nabla V \cdot \nabla f + \Delta f giving expected local change. If VV is α\alpha-strongly convex, two coupled paths with shared noise contract as E[∥Xt−Yt∥2]≤e−2αtE[∥X0−Y0∥2]E[\lVert X_t - Y_t \rVert^2] \le e^{-2\alpha t}E[\lVert X_0 - Y_0 \rVert^2]. Distance halves every ln⁡2/(2α)\ln 2/(2\alpha) units.

Worked example

Take V(x)=x2/2V(x) = x^2/2 so α=1.0\alpha = 1.0 (standard Gaussian target). Starts at −4-4 and +4+4 sit 88 apart. Contraction gives RMS gap 8e−t8e^{-t}: at t=1t = 1, 8×0.368=2.948 \times 0.368 = 2.94; at t=2t = 2, 8×0.135=1.088 \times 0.135 = 1.08, inside the stationary standard deviation 1.01.0. Halving time ln⁡2/2≈0.347\ln 2/2 \approx 0.347 units, diagram 0.350.35. By t=2t = 2 the starts are forgotten and both paths wander in N(0,1)N(0,1) jointly. Discretised Langevin with step 0.010.01 needs about 200200 steps to mirror this, the sampler budget the theory predicts.

A double-well VV with barrier 88 instead mixes in about e8≈2980e^8 \approx 2980 units: same SDE form, exponentially slower from multimodality.

Watch Out For

Assuming convexity mixing on multimodal targets

The e−2αte^{-2\alpha t} rate needs global strong convexity. Mixture targets with separated modes mix by rare barrier crossings, not contraction. Quoting 0.350.35 halving on a two-moon posterior promises 200200-step mixing while true runs need millions.

Fix: check modality first. Multimodal targets need tempering, mode-hopping or exponential-time honesty.

Confusing stationary with converged at finite time

Stationary π\pi is the infinite-time limit. At t=0.5t = 0.5 with gap 4.854.85 the law is still far from N(0,1)N(0,1) and sampler averages carry transient bias. Reporting them as stationary samples understates error.

Fix: burn past several halving times (here 22 units) before collecting. Diagnose with coupled gaps, not eyeballed traces.

The Quick Version

  • Langevin diffusions target exp⁡(−V)\exp(-V) with generator tracking local expected change.
  • Strong convexity 1.01.0 halves coupled distances every 0.350.35 units; opposite starts merge by 22 units.
  • Discretised runs need about 200 steps of 0.010.01 to mirror that mixing.
  • Multimodal barriers replace contraction with exponential crossing times near 29802980 units at barrier 88.
  • Burn past several halving times before treating draws as stationary.