AI for Science weekly: why model performance isn't scientific evidence yet

bravo_abad · x · 2026-10-09

This week's Discovery at Scale briefing ties together enzyme engineering, charged-defect modeling and machine-checked proofs around one question: what makes a model's output usable as scientific evidence? Highlights: a positive-control study showing duplicate perturbation samples lose to a mean predictor on 95% of perturbations in a widely used K562 dataset under MSE across 14 datasets and 18 metrics; force fields that describe crystals accurately yet miss the electronic variable driving defects; and formal proofs that can pass checkers while not proving the intended statement. Evaluation design, not raw performance, is the bottleneck.

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