Parallel Tempering Initial Sampling in Inference-Time Reward Alignment

Inference-time reward alignment asks how to turn a pre-trained diffusion model with base law $p$ into a sampler that favors a reward $r$ while remaining close to $p$. Since there is no canonical distributional distance for this closeness constraint, different choices lead to different "reward-aligned" laws and, just as importantly, different algorithmic problems. We develop a primitive-based approach to reward alignment: rather than assuming arbitrary reward-aligned laws can be sampled, we ask which simple algorithmic primitives suffice to implement alignment for non-trivial reward classes. If closeness is measured in KL distance, the target law is $q(x) \propto p(x) \exp(λ^{-1}r(x))$. For this setting, we show that linear exponential tilts of the form $q(x)\propto p(x)\exp(\langle θ, x \rangle)$ -- which according to recent work [MRR26] can be efficiently sampled from -- are a sufficient primitive for aligning to a very broad class of convex low-dimensional rewards. If closeness is measured in Wasserstein distance, the corresponding primitive is a proximal transport oracle: given $x$, solve $\mbox{argmax}_y \{r(y)- λc(x,y)\}$. This oracle can be efficiently implemented for concave or low-dimensional Lipschitz rewards $r(x)=f(Ax)$. Together, these results illustrate that the choice of distribution distance for alignment affects the computational primitive and the tractable reward class.

We study inference-time alignment for diffusion-based generative models, aiming to steer a base model toward high-reward outputs without updating its weights. Recent Sequential Monte Carlo (SMC)-based steering methods approximate reward-tilted target distributions in a principled way, but their proposals remain largely tied to the base sampler. Since reward information is mainly used after propagation through particle reweighting and resampling, these methods can require large particle budgets and suffer from weight degeneracy and high-variance estimates. One way to reduce variance and improve particle efficiency is to iteratively learn twisting functions that provide look-ahead guidance, as in twisted SMC. However, existing learnable twisting methods are developed mainly for classical sequential inference and can be unstable when applied to diffusion-based alignment with high-dimensional state spaces and terminal, noisy, or black-box rewards. We propose Trust-Region Iterative Twisted Sequential Monte Carlo (TRI-TSMC), a trust-region framework for learning twisting functions in SMC-based inference-time alignment. Each iteration computes an exact KL-constrained update in path space, which admits a closed-form solution by tempered importance reweighting, and projects this target back to the parameterized twisted family by weighted maximum likelihood. Theoretically, we formalize the value-function interpretation of the optimal twisting function and show that it yields a zero-variance sampler. We prove that the trust-region update follows an escort path toward the target distribution, that the weighted maximum-likelihood update is a forward-KL projection, and that the path reduces residual importance-weight variance. Empirically, TRI-TSMC improves primary alignment objectives on discrete diffusion text generation and text-to-image generation under matched inference-time budgets.

While generative models have enabled training-free reward alignment, current methods typically excel in local exploration within narrow regions of the underlying distribution. These approaches struggle when preferences are unknown a priori and only revealed through sequential feedback-a scenario demanding broad exploration to uncover high-utility regions. To address this, we propose Sequentially-Controlled Interactive Multi-Particle Flow-Maps (IMPFM), a framework for sample-efficient online feedback-driven search. IMPFM progressively transports a group of interactive particles toward the target distribution, maintaining the broad coverage essential for heterogeneous preference alignment. IMPFM introduces a principled and efficient posterior sample sharing mechanism across particles powered by flow maps. By correcting individual particle drift with the collective posterior samples of the entire ensemble at each resampling step, the framework maximizes sample utility to enable global exploration while actively mitigating reward over-optimization, typical of standard control frameworks. Paired with a principled exploration-exploitation reweighting mechanism involving multi-particle interaction, this sequentially corrected multi-particle dynamics explicitly preserves structural diversity and overcomes the weight degeneracy inherent to standard SMC samplers. Crucially, we prove that the resulting sampling framework yields a multi-particle interaction-aware Feynman-Kac corrector that progressively steers the multi-particle system toward a KL-tilted target distribution, facilitating global exploration and preventing mode collapse. Extensive empirical evaluations and rigorous ablations across diverse search and alignment tasks confirm the efficacy of IMPFM over existing baselines.