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pd: support dpa2 (#4418)
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Support DPA-2 in paddle backend. This PR will be updated after #4414 is
merged.

### Training curve:


![training_curves_comparison_dpa2](https://github.com/user-attachments/assets/29bdeffa-cf2d-4586-afcf-7df0569997c3)



### Accuracy test(left: paddle, right: torch):


![image](https://github.com/user-attachments/assets/5bff55f3-1c39-4b95-93f0-68783e794716)


Ralated optimization of Paddle framework:
- [x] PaddlePaddle/Paddle#69349
- [x] PaddlePaddle/Paddle#69333
- [x] PaddlePaddle/Paddle#69479
- [x] PaddlePaddle/Paddle#69515
- [x] PaddlePaddle/Paddle#69487
- [x] PaddlePaddle/Paddle#69661
- [x] PaddlePaddle/Paddle#69660
- [x] PaddlePaddle/Paddle#69596
- [x] PaddlePaddle/Paddle#69556

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->
## Summary by CodeRabbit

- **New Features**
- Introduced new classes for molecular descriptors: `DescrptDPA2`,
`DescrptBlockRepformers`, `DescrptSeTTebd`, and `DescrptBlockSeTTebd`.
- Added new functions for tensor operations and descriptor management,
enhancing the capabilities of the module.
- Updated JSON configurations for multitask models to refine selection
criteria and data paths.

- **Bug Fixes**
- Improved error handling and parameter validation across various
descriptor classes.

- **Documentation**
- Enhanced test coverage for new descriptor functionalities and
configurations.

- **Tests**
- Added new test classes to validate the functionality of `DescrptDPA2`
and multitask training scenarios.
- Expanded test capabilities for descriptor classes based on installed
dependencies.
- Updated existing tests to support new configurations and
functionalities.
<!-- end of auto-generated comment: release notes by coderabbit.ai -->

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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HydrogenSulfate and pre-commit-ci[bot] authored Dec 25, 2024
1 parent f9f1759 commit beeb3d9
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14 changes: 14 additions & 0 deletions deepmd/pd/model/descriptor/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -9,20 +9,34 @@
DescrptBlockSeAtten,
DescrptDPA1,
)
from .dpa2 import (
DescrptDPA2,
)
from .env_mat import (
prod_env_mat,
)
from .repformers import (
DescrptBlockRepformers,
)
from .se_a import (
DescrptBlockSeA,
DescrptSeA,
)
from .se_t_tebd import (
DescrptBlockSeTTebd,
DescrptSeTTebd,
)

__all__ = [
"BaseDescriptor",
"DescriptorBlock",
"DescrptBlockRepformers",
"DescrptBlockSeA",
"DescrptBlockSeAtten",
"DescrptBlockSeTTebd",
"DescrptDPA1",
"DescrptDPA2",
"DescrptSeA",
"DescrptSeTTebd",
"prod_env_mat",
]
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