Equation 8 · AI for Science and Medicine: A First-Principles Introduction
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This is where AI’s relationship to reproducibility becomes genuinely two-sided rather than simply alarming. AI can worsen the underlying dynamic by expanding the numerator in Ioannidis’s framework without expanding the denominator: a hypothesis-generation agent that proposes thousands of biologically plausible mechanisms overnight lowers the effective R of the claims entering a field’s pipeline unless wet-lab or clinical capacity to check them grows to match, and a materials-discovery model that reports millions of computationally stable candidates can create exactly the appearance of abundance that the Cheetham and Seshadri critique found reason to doubt once examined compound by compound […
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This is where AI’s relationship to reproducibility becomes genuinely two-sided rather than simply alarming. AI can worsen the underlying dynamic by expanding the numerator in Ioannidis’s framework without expanding the denominator: a hypothesis-generation agent that proposes thousands of biologically plausible mechanisms overnight lowers the effective R of the claims entering a field’s pipeline unless wet-lab or clinical capacity to check them grows to match, and a materials-discovery model that reports millions of computationally stable candidates can create exactly the appearance of abundance that the Cheetham and Seshadri critique found reason to doubt once examined compound by compound [ 5 ] . But AI can also help, and the field’s own best example is the discipline CASP already enforces: a genuinely blind, withheld-answer evaluation that a model cannot have seen or been tuned against, judged by assessors with no stake in any participant’s success [ 3 ] . Structure prediction earned trust not by posting a leaderboard score but by submitting to exactly the adversarial, pre-registered-style test the replication-crisis literature says most fields lack. Self-driving laboratories that pair a proposing model directly with automated physical synthesis and characterization — the world this article’s materials-discovery figure depicts — point toward the same discipline generalized: hypotheses that cannot be separated from their own confirmation step.
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- [5] Artificial Intelligence Driving Materials Discovery? Perspective on the Article: Scaling Deep Learning for Materials Discovery ↗
- [3] Critical Assessment of Methods of Protein Structure Prediction (CASP)—Round XIV ↗
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