Update README.md
Browse files
README.md
CHANGED
|
@@ -7,7 +7,7 @@
|
|
| 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 on the [arXiv](https://arxiv.org/abs/
|
| 11 |
|
| 12 |
## Citation
|
| 13 |
|
|
|
|
| 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 on the [arXiv](https://arxiv.org/abs/2510.00352)!
|
| 11 |
|
| 12 |
## Citation
|
| 13 |
|