Excited to present our work on multi-objective scientific discovery at
#NeurIPS2025! 🎉
We present Preference-Guided Diffusion, a novel method to sample diverse designs from a diffusion model that corresponds to the Pareto Front of black-box objectives.
Most (if not all) problems in scientific discovery, from drug design to material design, are multi-objective. Balancing factors like toxicity and activity or stability and synthesizability requires finding the optimal Pareto Front of trade-offs. Preference-Guided diffusion uses preference pairs from just an offline dataset to sample optimal designs from a diffusion model.
W/ amazing co-authors
@syrineblk,
@StefanoErmon,
@stefanAbauer, and
@BeEngelhardt.
Find out more:
🗓️ Poster #915 | Wednesday | 4:30 PM PST
Pdf:
openreview.net/pdf?id=moiVS9…
Project:
github.com/yannadani/pgd_moo