2024 Poster "molecular design" Papers

3 papers found

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Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design

Leo Klarner, Tim G. J. Rudner, Garrett Morris et al.

ICML 2024posterarXiv:2407.11942

Joint Composite Latent Space Bayesian Optimization

Natalie Maus, Zhiyuan Jerry Lin, Maximilian Balandat et al.

ICML 2024posterarXiv:2311.02213

LLM and Simulation as Bilevel Optimizers: A New Paradigm to Advance Physical Scientific Discovery

Pingchuan Ma, Johnson Tsun-Hsuan Wang, Minghao Guo et al.

ICML 2024poster