GOLLuM finds 36.3% of top-5% outcomes vs 29.7% for descriptor-based optimization

pschwllr · x · 2026-10-02

GOLLuM pairs a language model with a Gaussian process to choose the next experiment. Across 23 retrospective benchmarks from Schwaller's group, its main variant found 36.3% of top-5% outcomes versus 29.7% for descriptor-based optimization. These were dataset searches, not lab trials.

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