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Gradient-Free Score-Based Sampling Methods with Ensembles

arXiv 2401.17539 ↗First posted 31 Jan 2024cs.LG stat.COcited by 0

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Abstract (arXiv)

Recent developments in generative modeling have utilized score-based methods coupled with stochastic differential equations to sample from complex probability distributions. However, these and other performant sampling methods generally require gradients of the target probability distribution, which can be unavailable or computationally prohibitive in many scientific and engineering applications. Here, we introduce ensembles within score-based sampling methods to develop gradient-free approximate sampling techniques that leverage the collective dynamics of particle ensembles to compute approximate reverse diffusion drifts. We introduce the underlying methodology, emphasizing its relationship with generative diffusion models and the previously introduced F"ollmer sampler. We demonstrate the efficacy of the ensemble strategies through various examples, ranging from low- to medium-dimensionality sampling problems, including multi-modal and highly non-Gaussian probability distributions, and provide comparisons to traditional methods like the No-U-Turn Sampler. Additionally, we showcase these strategies in the context of a high-dimensional Bayesian inversion problem within the geophysical sciences. Our findings highlight the potential of ensemble strategies for modeling complex probability distributions in situations where gradients are unavailable.

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References · 14

  1. 2019Generative Modeling by Estimating Gradients of the Data Distributioncited by 4,067
  2. 2022Elucidating the Design Space of Diffusion-Based Generative Modelscited by 2,994
  3. 2016Variational Inference: A Review for Statisticianscited by 1,466
  4. 2018Pyro: Deep Universal Probabilistic Programmingcited by 379
  5. 2019Composable Effects for Flexible and Accelerated Probabilistic Programming in NumPyrocited by 187
  6. 2021Path Integral Sampler: a stochastic control approach for samplingcited by 175
  7. 2021Equinox: neural networks in JAX via callable PyTrees and filtered transformationscited by 143
  8. 2021Bayesian Learning via Neural Schr"odinger-F"ollmer Flowscited by 56
  9. 2022Probability flow solution of the Fokker-Planck equationcited by 46
  10. 2022Ensemble Kalman Methods: A Mean Field Perspectivecited by 20
  11. 2021Convergence Analysis of Schr"odinger-F"ollmer Sampler without Convexitycited by 7
  12. 2021Global Optimization via Schr"odinger-F"ollmer Diffusioncited by 4
2 more
  1. 2020Ensemble Slice Sampling: Parallel, black-box and gradient-free inference for correlated & multimodal distributionscited by 2
  2. 2023Localized covariance estimation: A Bayesian perspectivecited by 1

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