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My TEDx talk on the importance of building interpretable, open box machine learning models and using domain-informed detective work to accelerate discovery in genomics, biology, and medicine: youtube.com/watch?v=uC3Sfn…
@BeEngelhardt
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Excited to present our work on multi-objective scientific discovery at #NeurIPS2025! 🎉View quoted post on X
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=moiVS9A…
Project: github.com/yannadani/pgd_…