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Plug-and-Play Guidance for Discrete Diffusion Models via Gradient-Informed Logit Correction

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Controllable generation with discrete diffusion models is often hindered by high computational overhead or the need for retraining. In this paper, we present \underline{\textbf{G}}radient-\underline{\textbf{I}}nformed \underline{\textbf{L}}ogit \underline{\textbf{C}}orrection (\textbf{GILC}), a plug-and-play framework that efficiently estimates guidance signals by repurposing the pretrained denoising network as a variational proxy. To circumvent the gradient instability inherent in high-dimensional discrete spaces, we introduce a Jacobian-free mechanism that directly corrects the clean prediction logits, facilitating stable and effective guidance. Our method accommodates both differentiable and non-differentiable reward functions. Extensive experiments across DNA, protein sequence, and molecular generation tasks demonstrate that GILC achieves state-of-the-art performance without additional training, frequently outperforming fine-tuning approaches.

Hongkun Dou, Zike Chen, Fengji Li, Hongjue Li, Yue Deng• 2026

Related benchmarks

TaskDatasetResultRank
DNA sequence designDNA sequence design
Pred-Activity7.04
23
Inverse protein foldingInverse protein folding
Pred-ddG1.43
11
Molecular property generationQM9
Heat Capacity (Cv)2.23
9
Structure-guided molecular generationQM9
Similarity Score30.8
5
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