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This research introduces GRAS, a novel inference-time steering method for discrete diffusion models that eliminates the need for retraining while improving reward alignment in tasks like protein design. By reducing estimator variance through Rao-Blackwellization and implementing adaptive resampling temperatures, the approach outperforms existing training-free techniques and matches fine-tuned models without additional computational cost.
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GRAS: Guided Reduced-Variance Proposals and Adaptive Selection for Training-Free Reward Alignment in Discrete Diffusion

arXiv3 min read

arXiv:2608.26585v1 Announce Type: new Abstract: Discrete diffusion models have become a strong, widely adopted class of generators for sequence data, and steering them toward a downstream reward at inference time, without any retraining, is increasingly important. Such training-free steering is done by gradient guidance, by search, or by combining the two. We study the combined regime and identify two weaknesses in how it is usually run: the guided proposal estimates its gradient from a single noisy sample, and the search then resamples particles at a fixed temperature that ignores how rewards spread across each denoising step. We address both with a small set of changes that add no denoiser cost. For the proposal, we lower the estimator variance with a Rao-Blackwellized reveal for differentiable rewards and a leave-one-out baseline for non-differentiable ones; for the search, we standardize the per-step values into a group-relative advantage and prove it collapses to a single active ingredient, an adaptive resampling temperature. We call the resulting method Guided Reduced-variance proposals and Adaptive Selection (GRAS). GRAS is simple yet effective: across regulatory DNA and protein design it attains the best training-free reward, outperforming prior training-free methods and matching or surpassing a reward-fine-tuned model, and it remains effective even for non-differentiable rewards.

Abstract:Discrete diffusion models have become a strong, widely adopted class of generators for sequence data, and steering them toward a downstream reward at inference time, without any retraining, is increasingly important. Such training-free steering is done by gradient guidance, by search, or by combining the two. We study the combined regime and identify two weaknesses in how it is usually run: the guided proposal estimates its gradient from a single noisy sample, and the search then resamples particles at a fixed temperature that ignores how rewards spread across each denoising step. We address both with a small set of changes that add no denoiser cost. For the proposal, we lower the estimator variance with a Rao-Blackwellized reveal for differentiable rewards and a leave-one-out baseline for non-differentiable ones; for the search, we standardize the per-step values into a group-relative advantage and prove it collapses to a single active ingredient, an adaptive resampling temperature. We call the resulting method Guided Reduced-variance proposals and Adaptive Selection (GRAS). GRAS is simple yet effective: across regulatory DNA and protein design it attains the best training-free reward, outperforming prior training-free methods and matching or surpassing a reward-fine-tuned model, and it remains effective even for non-differentiable rewards.

Machine Learning (cs.LG); Computational Engineering, Finance, and Science (cs.CE); Quantitative Methods (q-bio.QM); Machine Learning (stat.ML)

arXiv:2608.26585 [cs.LG]

(or arXiv:2608.26585v1 [cs.LG] for this version)

https://doi.org/10.48550/arXiv.2608.26585 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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Full text under the publisher's open licence · 306 words

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