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Jeffreys Flow: Robust Boltzmann Generators for Rare Event Sampling via Parallel Tempering Distillation

arXiv 2604.05303 ↗First posted 7 Apr 2026cs.LG cs.NA math.NAcited by 0

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Abstract (arXiv)

Sampling physical systems with rough energy landscapes is hindered by rare events and metastable trapping. While Boltzmann generators already offer a solution, their reliance on the reverse Kullback--Leibler divergence frequently induces catastrophic mode collapse, missing specific modes in multi-modal distributions. Here, we introduce the Jeffreys Flow, a robust generative framework that mitigates this failure by distilling empirical sampling data from Parallel Tempering trajectories using the symmetric Jeffreys divergence. This formulation effectively balances local target-seeking precision with global modes coverage. We show that minimizing Jeffreys divergence suppresses mode collapse and structurally corrects inherent inaccuracies via distillation of the empirical reference data. We demonstrate the framework's scalability and accuracy on highly non-convex multidimensional benchmarks, including the systematic correction of stochastic gradient biases in Replica Exchange Stochastic Gradient Langevin Dynamics and the massive acceleration of exact importance sampling in Path Integral Monte Carlo for quantum thermal states.

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References · 23

  1. 2022Flow Matching for Generative Modelingcited by 5,702
  2. 2016Density estimation using Real NVPcited by 2,042
  3. 2021Maximum Likelihood Training of Score-Based Diffusion Modelscited by 672
  4. 2019Neural Spline Flowscited by 596
  5. 2021Knowledge Distillation in Iterative Generative Models for Improved Sampling Speedcited by 348
  6. 2014Stochastic Gradient Hamiltonian Monte Carlocited by 343
  7. 2023Flow Matching on General Geometriescited by 265
  8. 2017A Conceptual Introduction to Hamiltonian Monte Carlocited by 209
  9. 2021Conditional Image Generation with Score-Based Diffusion Modelscited by 197
  10. 2020Stochastic Normalizing Flowscited by 157
  11. 2016Stochastic Variance Reduction for Nonconvex Optimizationcited by 145
  12. 2022Flow Annealed Importance Sampling Bootstrapcited by 127
11 more
  1. 2022Continual Repeated Annealed Flow Transport Monte Carlocited by 66
  2. 2024EM Distillation for One-step Diffusion Modelscited by 62
  3. 2024Simple and Fast Distillation of Diffusion Modelscited by 32
  4. 2025MoFlow: One-Step Flow Matching for Human Trajectory Forecasting via Implicit Maximum Likelihood Estimation based Distillationcited by 31
  5. 2023Normalizing flows for lattice gauge theory in arbitrary space-time dimensioncited by 23
  6. 2025Scalable Boltzmann Generators for equilibrium sampling of large-scale materialscited by 11
  7. 2020Accelerating Convergence of Replica Exchange Stochastic Gradient MCMC via Variance Reductioncited by 10
  8. 2022Non-reversible Parallel Tempering for Deep Posterior Approximationcited by 7
  9. 2025Mitigating mode collapse in normalizing flows by annealing with an adaptive schedule: Application to parameter estimationcited by 6
  10. 2023Efficient Multimodal Sampling via Tempered Distribution Flowcited by 3
  11. 2024Flow to Rare Events: An Application of Normalizing Flow in Temporal Importance Sampling for Automated Vehicle Validationcited by 1

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