Interacting particle guidance for sampling reward-tilted generative priors
Organizations: Linköping University, Sweden · Uppsala University, Sweden
Abstract
Inference-time steering adapts pretrained diffusion and flow-based models to new tasks, e.g., to generate samples from a conditional distribution or samples with desired properties, without retraining. This can be formalized as sampling from a reward-tilted generative prior. As exact sampling from this distribution is intractable, guidance-based methods rely on approximations producing biased samples, and sequential Monte Carlo (SMC) methods correct for this bias using importance weights. However, while exact in the large particle limit, SMC suffers from weight degeneracy and particle collapse in practice. We propose interacting particle guidance (IPG), which replaces reweighting with transport. The particles interact through an additional drift, derived from the Feynman--Kac PDE to cancel the reweighting term, and remain unweighted. Choosing the drift in a reproducing kernel Hilbert space yields a closed-form solution that is cheap to compute, with negligible overhead compared to SMC. We demonstrate the method on Gaussian mixtures with known posteriors, and on high-dimensional image inpainting and protein structure inference tasks.
Figures & tables
| Method | Resampling | ESS/ | Mean error | MMD | SWD |
|---|---|---|---|---|---|
| FKC | None | 0.006 0.002 | 7.593 1.337 | 0.876 0.165 | 0.682 0.112 |
| Adaptive | 0.771 0.203 | 4.485 0.872 | 0.184 0.042 | 0.311 0.055 | |
| Every step | 1.000 0.000 | 3.685 0.741 | 0.148 0.021 | 0.260 0.043 | |
| DriftLite | None | 0.011 0.004 | 5.691 1.194 | 0.619 0.139 | 0.509 0.092 |
| Adaptive | 0.864 0.169 | 2.178 0.357 | 0.097 0.007 | 0.168 0.021 | |
| Every step | 1.000 0.000 | 2.483 0.243 | 0.085 0.004 | 0.182 0.012 |
| PSNR | SSIM | LPIPS | Diversity | ||||||
|---|---|---|---|---|---|---|---|---|---|
| Mask | Method | Avg. | Best | Avg. | Best | Avg. | Best | Cov. trace | LPIPS div. |
| Half | FKC | 15.99 | 15.99 | 0.4534 | 0.4537 | 0.3352 | 0.3341 | 24.61 | 0.0041 |
| DriftLite | 15.51 | 15.52 | 0.4392 | 0.4401 | 0.3466 | 0.3443 | 70.56 | 0.0125 | |
| IPG | 15.74 | 17.98 | 0.4427 | 0.4894 | 0.3455 | 0.3058 | 7990.21 | 0.2307 | |
| IPG-CV | 15.68 | 17.79 | 0.4418 | 0.4889 | 0.3462 | 0.3060 | 7742.43 | 0.2311 | |
| Box | FKC | 24.53 | 24.53 | 0.6737 | 0.6739 | 0.1866 | 0.1859 | 14.02 | 0.0020 |
| (Å) | (Å) | Diversity | |||||
|---|---|---|---|---|---|---|---|
| Method | Avg. | Best | Avg. | Best | Rot. div. ( ∘ ) | RMSD div. (Å) | Any designable |
| FKC | 1.225 | 1.200 | 8.119 | 8.060 | 0.6 | 0.677 | 7/15 |
| DriftLite | 1.188 | 1.163 | 6.907 | 6.840 | 0.7 | 0.756 | 8/15 |
| IPG | 1.308 | 1.053 | 7.881 | 1.298 | 122.1 | 7.981 | 13/15 |
| IPG-CV | 1.290 | 1.048 | 7.543 | 1.232 | 126.9 | 7.800 | 15/15 |
Appendix figures & tables8 assets
Supplementary material from the paper’s appendix.
Appendix
| Method | Resampling | ESS/ | Mean error | MMD | SWD |
|---|---|---|---|---|---|
| FKC | None | 0.006 0.002 | 7.593 1.337 | 0.876 0.165 | 0.682 0.112 |
| Every step | 1.000 0.000 | 0.867 0.070 | 0.184 0.018 | 0.173 0.011 | |
| DriftLite | None | 0.011 0.005 | 5.973 1.857 | 0.658 0.188 | 0.534 0.136 |
| Every step | 1.000 0.000 | 1.226 0.117 | 0.124 0.009 | 0.146 0.007 | |
| IPG | None | – | 0.850 0.054 | 0.013 0.003 | 0.093 0.002 |
| IPG-CV | None | – | 0.850 0.047 | 0.011 0.002 | 0.092 0.002 |
| Method | Resampling | ESS/ | Mean error | MMD | SWD |
|---|---|---|---|---|---|
| MLP | None | 0.982 0.003 | 0.649 0.089 | 0.022 0.002 | 0.089 0.004 |
| MLP-CV | None | 0.983 0.004 | 0.697 0.035 | 0.019 0.004 | 0.089 0.001 |
| Transformer | None | 0.986 0.002 | 0.675 0.033 | 0.020 0.002 | 0.088 0.001 |
| Transformer-CV | None | 0.985 0.001 | 0.687 0.020 | 0.021 0.003 | 0.089 0.002 |
| Residue count | |||
|---|---|---|---|
| PDB ID | Modeled | Deposited | Resolution (Å) |
| 12FG | 166 | 171 | 1.43 |
| 28HS | 138 | 142 | 1.10 |
| 28RZ | 186 | 186 | 2.50 |
| 30JI | 173 | 173 | 1.75 |
| 30ZU | 223 | 246 | 1.05 |
Inference-Time Guidance
Inference-time guidance steers pretrained generative models, language models, and policies toward desired outputs without requiring full retraining.
See all 104 papersA Mean-Field Framework for Inference-Time Distributional Control of Diffusion Models
Simple Approximation and Derivative Free Inference-Time Scaling for Diffusion Models via Sequential Monte Carlo on Path Measures
URGE, Unbiased Resampling via Girsanov Estimation, a derivative-free inference-time scaling algorithm that performs path-wise importance reweighting via a Girsanov change of measure. Instead of computing gradient-based particle weights in previous work, URGE attaches a simple multiplicative weight to each simulated trajectory and periodically resamples. No score, no Hessian, and no PDE evaluation is required. We establish an equivalence between path-wise and particle-wise SMC: the Girsanov path weight admits a backward conditional expectation that recovers the previous particle-level weights, guaranteeing that both schemes produce the same unbiased terminal law. Empirically, URGE outperforms existing inference-time guidance baselines on synthetic tests and diffusion-model benchmarks, achieving better generation quality, while being significantly simpler to implement and fully gradient-free.