Divergent strategies and convergent outcomes in autonomous materials discovery
Scientific agents are mostly evaluated on whether they complete tasks or recover known results; we instead study variation across repeated open-ended campaigns. Sixteen separately initialized sessions of one model-harness configuration received a frozen database of 12,499 metal-organic frameworks, a methane-storage objective, a pinned protocol and a one-week budget. Strategies diverged into four approaches spanning 100--5,000 screened structures, and eight built 2,253 hypothetical structures. Yet the agents recovered the same materials frontier near 200 cm^3/cm^3, and an independent calculation of the database's porous region found its nine best structures all among their reports. Enforce...
| Authors | Jihan Kim |
|---|---|
| Primary category | cs.AI |
| Published | 21 September 2026 |
| Last updated at source | 21 September 2026 |
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