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Align model-card metrics with paper task-averaged results

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Use unweighted means over the twelve task variants from Diagnosis_model_task for performance, mean ER and clean-trace rate. Preserve the already task-averaged per-claim fabrication rate. Document the earlier response-weighted summaries and independent rounding to the paper's display precision. No checkpoint or evaluation record changes.

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  1. README.md +29 -7
README.md CHANGED
@@ -24,17 +24,39 @@ those two cases score differently.
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  Measured over twelve generative task variants (ChEBI-20 caption↔molecule, USPTO-50k
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  retrosynthesis, nine S²-Bench subtasks), against the Chem-R checkpoint it was trained from.
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- All four rows are the `R1_stage_ladder` sheet of the code repository's Source Data, so they can be
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- checked against one shipped row:
 
 
 
 
 
 
 
 
 
 
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  | | Chem-R | Chem-R-Faithful |
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  |---|---|---|
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  | per-claim fabrication rate | 22.56% | **4.35%** |
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- | mean ER (fabrication score, 0–100) | 10.60 | **1.73** |
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- | clean-trace rate (ER = 0) | 40.63% | **88.05%** |
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- | task performance | 50.09 | **51.45** |
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-
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- Fabrication drops roughly five-fold and the clean-trace rate doubles, with task performance
 
 
 
 
 
 
 
 
 
 
 
 
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  slightly up rather than traded away.
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  ## Usage
 
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  Measured over twelve generative task variants (ChEBI-20 caption↔molecule, USPTO-50k
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  retrosynthesis, nine S²-Bench subtasks), against the Chem-R checkpoint it was trained from.
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+ All four rows below are **unweighted means over the twelve task variants** (each variant has
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+ weight 1/12), calculated from the per-task values in sheet `Diagnosis_model_task` of the
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+ repository's [Source Data](https://github.com/phenixace/MolReHallu/blob/0c951962d69f79c92b759b52c28d0144f6cb3ab3/data/source_data.xlsx).
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+ This uses the same task-averaging convention as the paper's Fig. 1d and its mean ER across tasks;
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+ the task sizes do not determine their weights in this table.
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+
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+ Specifically, task performance, mean ER and clean-trace rate average the `perf`, `ER` and
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+ `pct_er0` columns, respectively. Per-claim fabrication rate averages `100 - cp` over tasks,
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+ where `cp` is the percentage of verified claims among verified plus fabricated specific
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+ functional-group claims within each task; the six generic group names excluded by the
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+ evaluation code are excluded from both counts. These are means of per-task claim rates,
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+ not a single claim rate pooled across tasks.
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  | | Chem-R | Chem-R-Faithful |
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  |---|---|---|
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  | per-claim fabrication rate | 22.56% | **4.35%** |
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+ | mean ER (fabrication score, 0–100) | 10.63 | **2.39** |
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+ | clean-trace rate (ER = 0) | 45.45% | **87.58%** |
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+ | task performance (0–100) | 58.91 | **61.48** |
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+
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+ Values here are shown to two decimal places. Rounded directly from the underlying values to
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+ the paper's display precision, performance is 59 / 61 (Fig. 1d), and Chem-R-Faithful has mean
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+ ER 2.4 and per-claim fabrication rate 4.3%.
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+
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+ **Aggregation update:** Earlier versions of this card took performance, mean ER and
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+ clean-trace rate from `R1_stage_ladder`, which weights these metrics by the number of responses
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+ (16,107 per model: 3,300 for each ChEBI-20 task, 5,007 for retrosynthesis and 500 for each of
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+ the nine S²-Bench subtasks). Those response-weighted summaries gave performance 50.09 / 51.45
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+ and Chem-R-Faithful mean ER 1.73. The table above now uses equal task weights to align with the
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+ paper; the model checkpoints, evaluation records and per-task results are unchanged.
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+ Per-claim fabrication rate was already task-averaged and is unchanged.
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+
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+ Fabrication drops roughly five-fold and the clean-trace rate nearly doubles, with task performance
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  slightly up rather than traded away.
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  ## Usage