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doc: update equation in doc
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lambench/metrics/results/README.md

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@@ -44,9 +44,9 @@ To assess model performance across these domains, we use zero-shot inference wit
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1. The error metric is normalized against the error metric of a baseline model (dummy model) as follows:
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$$\hat{M}^m_{k,p,i} = \frac{M^m_{k,p,i}}{M^{\mathrm{dummy}}_{k,p,i}}$$
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$$\hat{M}^m_{k,p,i} = \min\left(\frac{M^m_{k,p,i}}{M^{\mathrm{dummy}}_{k,p,i}},\quad 1\right)$$
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where $M^m_{k,p,i}$ is the original error metric, $m$ indicates the model, $k$ denotes the domain index, $p$ signifies the prediction index, and $i$ represents the test set index.
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where $M^m_{k,p,i}$ is the original error metric, $m$ indicates the model, $k$ denotes the domain index, $p$ signifies the prediction index, and $i$ represents the test set index. For a model with worse accuracy than a dummy model, the error metric is set to 1.
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For instance, in force field tasks, the domains include Small Molecules, Inorganic Materials, Biomolecules, Reactions, and Catalysis, such that $k \in \{\text{Small Molecules, Inorganic Materials, Biomolecules, Reactions, Catalysis}\}$. The prediction types are categorized as energy ($E$), force ($F$), or virial ($V$), with $p \in \{E, F, V\}$.
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For the specific domain of Reactions, the test sets are indexed as $i \in \{\text{Guan2022Benchmark, Gasteiger2020Fast}\}$. This baseline model predicts energy based solely on the chemical formula, disregarding any structural details, thereby providing a reference point for evaluating the improvement offered by more sophisticated models.
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