pranamanam commited on
Commit
ab15eb4
·
verified ·
1 Parent(s): 295b1cd

Update README.md

Browse files
Files changed (1) hide show
  1. README.md +4 -1
README.md CHANGED
@@ -4,4 +4,7 @@
4
 
5
  ![AReUReDi_01](https://cdn-uploads.huggingface.co/production/uploads/649ef40be56dc456b7a36649/NXO9KZCTSM6j5ZOhgu-tr.png)
6
 
7
- 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** (**A**nnealed **Re**ctified **U**pdates for **Re**fining **Di**screte 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.
 
 
 
 
4
 
5
  ![AReUReDi_01](https://cdn-uploads.huggingface.co/production/uploads/649ef40be56dc456b7a36649/NXO9KZCTSM6j5ZOhgu-tr.png)
6
 
7
+ 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** (**A**nnealed **Re**ctified **U**pdates for **Re**fining **Di**screte 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.
8
+
9
+
10
+ Check out our paper: ([Chen et al. 2025](https://arxiv.org/abs/2412.17780))