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[Feature Request] Faster neighbor stat implementation for the TF backend #3272

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njzjz opened this issue Feb 14, 2024 · 0 comments · Fixed by #3275
Closed

[Feature Request] Faster neighbor stat implementation for the TF backend #3272

njzjz opened this issue Feb 14, 2024 · 0 comments · Fixed by #3275
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@njzjz
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njzjz commented Feb 14, 2024 •
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Summary

Implement a multiple-frame neighbor statics OP for the TF backend.

Detailed Description

#3271 implements a multiple-frame neighbor statics OP for the PT backend, making it 100x faster than the previous implementation. This implementation should be brought to the TF backend.

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@njzjz njzjz changed the title [Feature Request] Faster neighbor stat implementation for TF [Feature Request] Faster neighbor stat implementation for the TF backend Feb 14, 2024
@njzjz njzjz mentioned this issue Feb 14, 2024
Merged
@njzjz njzjz linked a pull request Feb 14, 2024 that will close this issue
tf: refactor neighbor stat #3275
Merged
wanghan-iapcm pushed a commit that referenced this issue Feb 15, 2024
@njzjz
tf: refactor neighbor stat (#3275)
02080db 
Fix #3272. Apply implementation of #3271 into TF. Confirm consistent
results on `examples/water`, `examples/nopbc`, and ANI-1x (#1624).

80x speed up:

![image](https://github.com/deepmodeling/deepmd-kit/assets/9496702/85aa1fed-e3c0-4cb6-9082-db45c9a03f9d)

---------

Signed-off-by: Jinzhe Zeng <[email protected]>
@njzjz njzjz closed this as completed Feb 15, 2024
njzjz added a commit to njzjz/deepmd-kit that referenced this issue Apr 6, 2024
@njzjz
tf: refactor neighbor stat (deepmodeling#3275)
30e57e4 
Fix deepmodeling#3272. Apply implementation of deepmodeling#3271 into TF. Confirm consistent
results on `examples/water`, `examples/nopbc`, and ANI-1x (deepmodeling#1624).

80x speed up:

![image](https://github.com/deepmodeling/deepmd-kit/assets/9496702/85aa1fed-e3c0-4cb6-9082-db45c9a03f9d)

---------

Signed-off-by: Jinzhe Zeng <[email protected]>
(cherry picked from commit 02080db)

---------

Cleanup for r2.

Signed-off-by: Jinzhe Zeng <[email protected]>
njzjz added a commit that referenced this issue Apr 6, 2024
@njzjz
tf: refactor neighbor stat (#3275)
d8951b9 
Fix #3272. Apply implementation of #3271 into TF. Confirm consistent
results on `examples/water`, `examples/nopbc`, and ANI-1x (#1624).

80x speed up:

![image](https://github.com/deepmodeling/deepmd-kit/assets/9496702/85aa1fed-e3c0-4cb6-9082-db45c9a03f9d)

---------

Signed-off-by: Jinzhe Zeng <[email protected]>
(cherry picked from commit 02080db)

---------

Cleanup for r2.

Signed-off-by: Jinzhe Zeng <[email protected]>
@njzjz njzjz mentioned this issue Dec 4, 2024
Closed
@njzjz njzjz marked this as a duplicate of #4454 Dec 12, 2024
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tf: refactor neighbor stat njzjz/deepmd-kit
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