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deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
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docs: add document equations for `se_atten_v2` #3828

Closed Chengqian-Zhang closed 1 month ago

Chengqian-Zhang commented 1 month ago

Solve issue #3139 "se_atten_v2" is inherited from "se_atten" with the following parameter modifications:

      "tebd_input_mode": "strip",
      "smooth_type_embedding": true,
      "set_davg_zero": false

I add the equations for parameter "tebd_input_mode".

Summary by CodeRabbit

coderabbitai[bot] commented 1 month ago
Walkthrough ## Walkthrough The changes in the `train-se-atten.md` file focus on detailing the default value and functionality of the `"tebd_input_mode"` parameter in the context of constructing an embedding matrix. They also highlight the performance superiority of `"se_atten_v2"` over `"se_atten"` and specify a model compression requirement for `se_atten_v2`. These updates aim to clarify the behavior and performance aspects related to specific parameters without altering any exported or public entities. ## Changes | File | Change Summary | |-----------------------------------|---------------------------------------------------------------------------------------------------------------------------| | `doc/model/train-se-atten.md` | Added details about the default value and functionality of `"tebd_input_mode"`, highlighted performance of `"se_atten_v2"` over `"se_atten"`, and specified model compression requirement for `se_atten_v2`. | ## Sequence Diagram(s) (Beta) Silently ignoring generating sequence diagrams as the changes are documentation updates and do not involve modifications to the control flow or new features.
Recent review details **Configuration used: CodeRabbit UI** **Review profile: CHILL**
Commits Files that changed from the base of the PR and between d5a7f80c04db76a66be8db6c38a5361bd77ceb68 and 9ad3a302e2df46703beeecd618589beab30c573b.
Files selected for processing (1) * doc/model/train-se-atten.md (2 hunks)
Additional context used
Markdownlint
doc/model/train-se-atten.md
91-91: Column: 1 Hard tabs --- 92-92: Column: 18 Hard tabs --- 93-93: Column: 23 Hard tabs --- 94-94: Column: 18 Hard tabs --- 95-95: Column: 17 Hard tabs --- 96-96: Column: 20 Hard tabs --- 97-97: Column: 25 Hard tabs --- 98-98: Column: 23 Hard tabs --- 99-99: Column: 18 Hard tabs --- 100-100: Column: 24 Hard tabs --- 101-101: Column: 23 Hard tabs --- 102-102: Column: 23 Hard tabs --- 103-103: Column: 18 Hard tabs --- 104-104: Column: 1 Hard tabs
Additional comments not posted (1)
doc/model/train-se-atten.md (1)
`129-138`: Clarify the explanation of `"tebd_input_mode"` parameter changes. The explanation of the `"tebd_input_mode"` parameter changes from `"concat"` to `"strip"` is provided, but it could benefit from a clearer distinction between the two modes. Consider adding a brief description of what each mode does at a high level to help readers understand the practical implications of these settings.
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codecov[bot] commented 1 month ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 75.18%. Comparing base (3a7fbcf) to head (9ad3a30).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## devel #3828 +/- ## ========================================== - Coverage 82.61% 75.18% -7.43% ========================================== Files 515 515 Lines 49566 49558 -8 Branches 2985 2985 ========================================== - Hits 40949 37262 -3687 - Misses 7706 11463 +3757 + Partials 911 833 -78 ```

:umbrella: View full report in Codecov by Sentry.
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njzjz commented 1 month ago

@iProzd I notice the documentation for se_atten is still old. Update: revised in #3832.

Chengqian-Zhang commented 1 month ago

I think it is better to update the documentation in #3840.