| { | |
| "schema": "experimental-optimization-split/v1", | |
| "split": "test", | |
| "split_unit": "family", | |
| "families": ["fullerenes", "pd_sulfonamide", "photoswitch", "vapdiff"], | |
| "tasks": ["fullerenes", "pd_sulfonamide", "photoswitch", "vapdiff"], | |
| "episode": {"num_initial": 10, "initialization": "random_at_or_below_median_oriented_score", "rng": "numpy.random.default_rng(seed) / PCG64", "num_queries": 50, "seeds": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19]}, | |
| "rationale": "Held-out families cover organic synthesis, flow/process optimization, crystallization, and molecular photophysics for cross-family evaluation." | |
| } | |