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To discretize continually: Mean shift interacting particle systems for Bayesian inference
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Proposes mean shift interacting particle systems (MSIP), a regularized, normalization-invariant MMD-minimizing particle method that yields weighted quadrature rules for unnormalized densities, with gradient-free and gradient-informed variants.
Problem
Constructing weighted quadrature rules (small weighted particle sets) that approximate expectations under a target known only up to its normalizing constant, where MMD minimization is considered infeasible.
Approach
Extends the mean shift interacting particle (MSIP) algorithm from empirical targets to unnormalized densities by estimating the kernel embeddings v0 and v1 via inner Gaussian quadrature (Fredholm, Stein, or gradient-free estimators) and adds regularization; the resulting fixed-point dynamics are invariant to the target's normalizing constant, and the regularized objective is a penalized MMD.
Key results
- On the five-component anisotropic Gaussian mixture, MSIP-Fredholm captures all modes while SVGD and ALDI suffer mode collapse, with MSIP outperforming by a significant MMD margin especially at large particle counts.
- MSIP variants achieve the lowest or near-lowest KSD on most synthetic targets; e.g., on Funnel50 MSIPGI-1 gets 46.68 vs SVGD 242.5 and ALDI failing.
- On TwoMoons201 (Bayesian neural network, d=201), MSIPF log-likelihood error is 258.60 vs SVGD 13653, showing faster convergence than SVGD.
Surprising findings
- SVGD frequently underperforms MSIP on several Gaussian mixtures, and small KSD values do not guarantee global mode coverage on multi-modal targets.
- The gradient-free MSIP-GF is remarkably competitive across most synthetic experiments despite using no gradients.
Limitations
- No theoretical convergence guarantees are established; the nonconvex optimization remains analytically challenging.
- Performance depends on hyperparameters such as kernel bandwidth and step size, which are set per example.
- KSD-based evaluation can fail to reflect mode allocation on multi-modal targets.
Experimental setup
Datasets: GMM2 GMM5 GMM10 GMM20 Joker Funnel Himmelblau Schools (posteriordb) COVID (posteriordb) CovType ABPDE TwoMoons
Benchmarks: GMM2 GMM5 GMM10 GMM20 Joker Funnel2 Funnel5 Funnel10 Funnel20 Funnel50 Himmelblau Schools10
Metrics: kernel Stein discrepancy log-likelihood MMD
Baselines: SVGD ALDI CBS Polarized CBS multi-start gradient ascent
Builds on: mean shift interacting particles Stein variational gradient descent ALDI consensus-based sampling
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