Skip to content

Commit 556759f

Browse files
[pre-commit.ci] auto fixes from pre-commit.com hooks
for more information, see https://pre-commit.ci
1 parent 5a63f28 commit 556759f

1 file changed

Lines changed: 3 additions & 2 deletions

File tree

doc/model/dpa2.md

Lines changed: 3 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -26,7 +26,7 @@ The descriptor follows two main stages:
2626

2727
1. **repinit (representation initializer)**
2828
- Initializes and fuses type and geometry information from local environments.
29-
2. **repformer (representation transformer)**
29+
1. **repformer (representation transformer)**
3030
- Stacked message-passing layers that update $\mathbf{f}$ and $\mathbf{g}$ channels through convolution/symmetrization/MLP and attention-style interactions.
3131

3232
The final descriptor is formed from learned single-atom representations and then passed to downstream fitting/model components.
@@ -36,7 +36,8 @@ The final descriptor is formed from learned single-atom representations and then
3636
DPA-2 updates local features layer-by-layer with residual connections. Conceptually, each layer performs neighborhood aggregation using geometry-conditioned interactions:
3737

3838
```math
39-
\mathbf{h}_lpha^{(l+1)} = \mathbf{h}_lpha^{(l)} + \mathrm{MP}^{(l)}\left(\mathbf{h}_lpha^{(l)}, \{\mathbf{h}_eta^{(l)}\}_{eta\in\mathcal{N}(lpha)}, \{\mathbf{g}_{lphaeta}\}_{eta\in\mathcal{N}(lpha)}ight)
39+
\mathbf{h}_lpha^{(l+1)} = \mathbf{h}_lpha^{(l)} + \mathrm{MP}^{(l)}\left(\mathbf{h}_lpha^{(l)}, \{\mathbf{h}_eta^{(l)}\}_{eta\in\mathcal{N}(lpha)}, \{\mathbf{g}_{lphaeta}\}_{eta\in\mathcal{N}(lpha)}
40+
ight)
4041
```
4142

4243
where $\mathrm{MP}^{(l)}$ denotes the layer-specific message-passing operator.

0 commit comments

Comments
 (0)