mlsanityData to 14 Oct 2026

ENCORE: Exact Non-equilibrium COntrol with Replica Exchange for Diffusion Generation

arXiv 2610.02538 ↗First posted 1 Oct 2026stat.ML cs.LGcited by 0

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Abstract (arXiv)

Inference-time control steers a pretrained generative model towards a target distribution without retraining. We study tilted targets π0propto G0,p0, where p0 is the sampler output distribution and G0 is an evaluable reweighting function. Existing approaches rely on sequential annealing with sequential Monte Carlo (SMC) or parallel annealing with replica exchange (RE). Sequential control is exact but needs large particle populations, whereas no exact parallel control method exists: existing RE corrections approximate an intractable time reversal and are biased. We propose Exact Non-equilibrium COntrol with Replica Exchange (ENCORE), the first exact parallel control method. Each replica stores its generation trajectory, so the upward move is a truncation and the intractable time reversal is never simulated. We prove target invariance and show that the resulting dynamics are those of non-equilibrium replica exchange with the exact time reversal as forward proposal. Under regularity conditions, our diffusion analysis shows that both sequential and parallel control become unstable under refinement of the time discretisation without guidance, whereas guided proposals remain stable and yield diagnostics for tuning the schedule and the computational budget. Across synthetic targets, Boltzmann sampling of biomolecules, and image generation, ENCORE achieves competitive accuracy and diversity, remains robust to sampler perturbations, and applies to distilled samplers where existing RE corrections are unavailable.

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References · 33

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  12. 2023Adversarial Diffusion Distillationcited by 759
21 more
  1. 2024Improved Distribution Matching Distillation for Fast Image Synthesiscited by 684
  2. 2022Equivariant Diffusion for Molecule Generation in 3Dcited by 677
  3. 2023Universal Guidance for Diffusion Modelscited by 437
  4. 2022The Vendi Score: A Diversity Evaluation Metric for Machine Learningcited by 311
  5. 2023Practical and Asymptotically Exact Conditional Sampling in Diffusion Modelscited by 232
  6. 2025A General Framework for Inference-time Scaling and Steering of Diffusion Modelscited by 224
  7. 2024Derivative-Free Guidance in Continuous and Discrete Diffusion Models with Soft Value-Based Decodingcited by 136
  8. 2022Flow Annealed Importance Sampling Bootstrapcited by 127
  9. 2025Feynman-Kac Correctors in Diffusion: Annealing, Guidance, and Product of Expertscited by 96
  10. 2024Classifier-Free Guidance is a Predictor-Correctorcited by 84
  11. 2023OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentialscited by 47
  12. 2025Reward-Guided Iterative Refinement in Diffusion Models at Test-Time with Applications to Protein and DNA Designcited by 25
  13. 2025Accelerated Parallel Tempering via Neural Transportscited by 17
  14. 2025RNE: plug-and-play diffusion inference-time control and energy-based trainingcited by 17
  15. 2025FEAT: Free energy Estimators with Adaptive Transportcited by 16
  16. 2026Enhanced Diffusion Sampling: Efficient Rare Event Sampling and Free Energy Calculation with Diffusion Modelscited by 13
  17. 2025CREPE: Controlling Diffusion with Replica Exchangecited by 11
  18. 2026Lookahead Sample Reward Guidance for Test-Time Scaling of Diffusion Modelscited by 6
  19. 2026Rare Event Analysis via Stochastic Optimal Controlcited by 4
  20. 2026Are we really tilting? The mechanics of reward guidance in flow and diffusion modelscited by 3
  21. 2026METALICA: METAdynamics and repLICA exchange for enhanced diffusion samplingcited by 1

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