Large Discovery Models: Empirically-grounded Model-Based Open-Ended Search
Scientific discovery often involves optimising expensive-to-evaluate objectives over vast, structured, and open-ended hypothesis spaces, such as molecules, protein sequences, and computer programs. Generative models such as large language models (LLMs) provide expressive priors over such spaces, but their likelihoods and self-assessments are unreliable proxies for the objectives and calibrated epistemic uncertainty, especially for novel candidates outside the observed data distribution. We introduce the Large Discovery Model (LDM), an empirically grounded recurrent architecture that couples a generative model with a Bayesian non-parametric reward surrogate model. The generative model prop...
| Authors | Zhongwei Yu, Yan Song, Xue Yan et al. |
|---|---|
| Primary category | cs.LG |
| Published | 16 August 2026 |
| Last updated at source | 30 August 2026 |
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