AReUReDi: Annealed Rectified Updates for Refining Discrete Flows with Multi-Objective Guidance

Tong Chen, Yinuo Zhang, Pranam Chatterjee

AReUReDi: Annealed Rectified Updates for Refining Discrete Flows with Multi-Objective Guidance: 1 upvotes on Hugging Face Daily Papers, #51 of 52 papers on 2025-10-03. Day-by-day upvote history.

Designing sequences that satisfy multiple, often conflicting, objectives is a central challenge in therapeutic and biomolecular engineering. Existing generative frameworks largely operate in continuous spaces with single-objective guidance, while discrete approaches lack guarantees for multi-objective Pareto optimality. We introduce AReUReDi (Annealed Rectified Updates for Refining Discrete Flows), a discrete optimization algorithm with theoretical guarantees of convergence to the Pareto front. Building on Rectified Discrete Flows (ReDi), AReUReDi combines Tchebycheff scalarization, locally balanced proposals, and annealed Metropolis-Hastings updates to bias sampling toward Pareto-optimal states while preserving distributional invariance. Applied to peptide and SMILES sequence design, AReUReDi simultaneously optimizes up to five therapeutic properties (including affinity, solubility, hemolysis, half-life, and non-fouling) and outperforms both evolutionary and diffusion-based baselines. These results establish AReUReDi as a powerful, sequence-based framework for multi-property biomolecule generation.

Paper page on Hugging Face · arXiv

Data: hysts-bot-data/daily-papers-stats and the Daily Papers API. Open data: tardellirs/paper-pulse-data. Sister project: Model Pulse, the download history of every model on the Hub.