{
  "generated_at_utc": "2026-07-10T10:38:11.729461Z",
  "checkpoint": {
    "path": "models/pimt_v7.pt",
    "sha256": "4d2b76fad6eed334459d3c4406eb1bd41164cbe2887ae712440c904c35717bff",
    "epoch": 2,
    "val_loss": 0.484091709347537,
    "missing_head_keys_on_load": [
      "substantivity_head.weight",
      "substantivity_head.bias"
    ],
    "unexpected_head_keys_on_load": [],
    "hidden_dim": 256,
    "embedding_dim": 151,
    "state_dim": 2,
    "num_layers": 4,
    "num_heads": 4
  },
  "data": {
    "path": "data/empirical_dataset_v9.jsonl",
    "sha256": "ecb379e0a49553ffa9618cff0219bace9a8cedd177349bf43f976821338c2498",
    "n_records": 5610,
    "n_validation_samples": 997
  },
  "prediction": {
    "profile_mse": 0.015919119119644165,
    "profile_mae": 0.08136838674545288,
    "profile_prediction_variance": 0.003580117365345359,
    "tier_prediction_variance": 0.008970352821052074,
    "tier_metrics": {
      "top": {
        "mse": 0.030526837334036827,
        "mae": 0.05922611802816391,
        "prediction_variance": 0.0011621444718912244,
        "target_variance": 0.0316166952252388,
        "mean_pairwise_cosine_similarity": 0.9847982173969119,
        "mean_spearman_rho": 0.19443819162575182
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      "middle": {
        "mse": 0.018027570098638535,
        "mae": 0.03757854178547859,
        "prediction_variance": 0.000563059642445296,
        "target_variance": 0.018554147332906723,
        "mean_pairwise_cosine_similarity": 0.9839578809358661,
        "mean_spearman_rho": 0.17592561976457144
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      "base": {
        "mse": 0.09481532871723175,
        "mae": 0.18209727108478546,
        "prediction_variance": 0.019075242802500725,
        "target_variance": 0.11200503259897232,
        "mean_pairwise_cosine_similarity": 0.9617923507775504,
        "mean_spearman_rho": 0.3075099534493899
      }
    }
  },
  "spearman": {
    "flat_spearman_rho": 0.2664015487695471,
    "flat_spearman_p_value": 0.0,
    "profile_spearman_rho": 0.3291460195118601,
    "profile_spearman_p_value": 0.0
  },
  "provenance_spearman": {
    "pyrfume_cas_only": {
      "n_positive_values": 3163,
      "n_tier_descriptor_cells": 206,
      "spearman_rho": 0.1062314565092472,
      "spearman_p_value": 0.0
    },
    "openpom_or_volatility_only": {
      "n_positive_values": 21619,
      "n_tier_descriptor_cells": 391,
      "spearman_rho": 0.24823811985524796,
      "spearman_p_value": 0.0
    },
    "full_reconstructed": {
      "n_positive_values": 24782,
      "n_tier_descriptor_cells": 403,
      "spearman_rho": 0.2657077566503923,
      "spearman_p_value": 0.0
    },
    "interpretation": "openpom-predicted + volatility-fallback are the majority of active labels; full-set rho is product/internal model-agreement, not a rigorous chemistry result."
  },
  "top_descriptors": {
    "top": {
      "predicted": [
        {
          "descriptor": "fresh",
          "score": 0.18053238093852997
        },
        {
          "descriptor": "sulfurous",
          "score": 0.1689532846212387
        },
        {
          "descriptor": "fatty",
          "score": 0.14225222170352936
        },
        {
          "descriptor": "fishy",
          "score": 0.13872511684894562
        },
        {
          "descriptor": "earthy",
          "score": 0.13468648493289948
        }
      ],
      "target": [
        {
          "descriptor": "fresh",
          "score": 0.20661985874176025
        },
        {
          "descriptor": "earthy",
          "score": 0.14443330466747284
        },
        {
          "descriptor": "sulfurous",
          "score": 0.1414242684841156
        },
        {
          "descriptor": "chamomile",
          "score": 0.1313941776752472
        },
        {
          "descriptor": "popcorn",
          "score": 0.12738214433193207
        }
      ]
    },
    "middle": {
      "predicted": [
        {
          "descriptor": "fresh",
          "score": 0.1450088620185852
        },
        {
          "descriptor": "sulfurous",
          "score": 0.138594388961792
        },
        {
          "descriptor": "grassy",
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        },
        {
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          "score": 0.07400903850793839
        },
        {
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          "score": 0.06360376626253128
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      ],
      "target": [
        {
          "descriptor": "fresh",
          "score": 0.1835506558418274
        },
        {
          "descriptor": "sulfurous",
          "score": 0.12838515639305115
        },
        {
          "descriptor": "earthy",
          "score": 0.09729187190532684
        },
        {
          "descriptor": "grassy",
          "score": 0.09027080982923508
        },
        {
          "descriptor": "chamomile",
          "score": 0.06519559025764465
        }
      ]
    },
    "base": {
      "predicted": [
        {
          "descriptor": "sulfurous",
          "score": 0.7914384603500366
        },
        {
          "descriptor": "fresh",
          "score": 0.6493475437164307
        },
        {
          "descriptor": "fermented",
          "score": 0.5674514770507812
        },
        {
          "descriptor": "waxy",
          "score": 0.5230544805526733
        },
        {
          "descriptor": "grassy",
          "score": 0.4619632065296173
        }
      ],
      "target": [
        {
          "descriptor": "sulfurous",
          "score": 0.7091273665428162
        },
        {
          "descriptor": "waxy",
          "score": 0.5867602825164795
        },
        {
          "descriptor": "fresh",
          "score": 0.5767301917076111
        },
        {
          "descriptor": "balsamic",
          "score": 0.570712149143219
        },
        {
          "descriptor": "vanilla",
          "score": 0.5225676894187927
        }
      ]
    }
  }
}