feat(pt_expt): add training infrastructure#5270

Merged

wanghan-iapcm merged 76 commits intodeepmodeling:masterfrom

wanghan-iapcm:feat-pt-expt-train

Mar 5, 2026

Commits on Feb 22, 2026

Commits on Feb 23, 2026

implement compute_or_load_stat
Han Wang
committed
fix bug in test_ener
Han Wang
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refact make_model, concrete models from different backends inherit from the base models of the corresponding backend
Han Wang
committed
Add compute_or_load_stat consistency tests and fix dpmodel backend bugs
Han Wang
committed

Commits on Feb 24, 2026

rm tmp test files
Han Wang
committed
Merge remote-tracking branch 'origin/feat-other-full-model' into feat-other-full-model
Han Wang
committed
remove concrete methods and data from BaseModel
Han Wang
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Merge branch 'master' into feat-other-full-model
Han Wang
committed
rm model_type
Han Wang
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fix spin model
Han Wang
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Merge remote-tracking branch 'origin/feat-other-full-model' into feat-other-full-model
Han Wang
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add get_observed_type_list to abstract API and implement in dpmodel
Han Wang
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fix: dpmodel change_type_map drops model_with_new_type_stat and uses bare np ops
Han Wang
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consolidate get_out_bias/set_out_bias into base_atomic_model
Han Wang
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change fitting -> fitting_net
Han Wang
committed
fix: dpmodel change_out_bias missing compute_fitting_input_stat for set-by-statistic
Han Wang
committed
Merge remote-tracking branch 'origin/feat-other-full-model' into feat-other-full-model
Han Wang
committed
fix bug
Han Wang
committed
fix bug
Han Wang
committed
add missing get_observed_type_list to paddel
Han Wang
committed
add tests for get_model_def_script get_min_nbor_dist and set_case_embd
Han Wang
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Merge remote-tracking branch 'origin/feat-other-full-model' into feat-other-full-model
Han Wang
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fix hlo
Han Wang
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add dipole model api tests. mv get_observed_type_list to base
Han Wang
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fix frozen model
Han Wang
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add polar model api tests.
Han Wang
committed
add property model api tests, fix bugs
Han Wang
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add dos test, fix bug
Han Wang
committed
Merge remote-tracking branch 'origin/feat-other-full-model' into feat-other-full-model
Han Wang
committed

Commits on Feb 25, 2026

add ut for dp-zbl model
Han Wang
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add test_get_model_def_script test_get_min_nbor_dist test_set_case_embd to model tests
Han Wang
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chore(pt): mv the input stat update to model_change_out_bias to keep the logic of change_out_bias clean
Han Wang
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chore(pd): update in the same way as pt
Han Wang
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update test for change out bias
Han Wang
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test the stat is changed
Han Wang
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rm unused methods
Han Wang
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use deep copy
Han Wang
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Merge remote-tracking branch 'origin/feat-other-full-model' into feat-other-full-model
Han Wang
committed

Commits on Feb 26, 2026

Extracted compare_variables_recursive to source/tests/consistent/model/common.py
Han Wang
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Merge branch 'master' into feat-other-full-model
Han Wang
committed
fix: remove dead code and redundant assignments in dpmodel atomic models
Han Wang
committed
feat(pt_expt): add training infrastructure using DeepmdDataSystem
Han Wang
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Merge branch 'feat-other-full-model' into feat-pt-expt-train
Han Wang
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fix bug in test
Han Wang
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enable model compile. print wall-time in stdout
Han Wang
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padding nall so the model is compiled with mode `real`. fix bug in env mat.
Han Wang
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more robust stat
Han Wang
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Commits on Feb 27, 2026

refactor: unify make_stat_input and validate fparam/aparam in stat
Han Wang
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fix bug
Han Wang
committed
Merge branch 'master' into feat-pt-expt-train
Han Wang
committed
fix
Han Wang
committed
changed find_ to int. refactorizing get_data
Han Wang
committed
port dpmodel loss to pt_expt and use user-facing model output keys
Han Wang
committed
Merge branch 'master' into feat-pt-expt-train
wanghan-iapcm
authored
Merge remote-tracking branch 'origin/feat-pt-expt-train' into feat-pt-expt-train
Han Wang
committed
use full like
Han Wang
committed
fix bugs in ut
Han Wang
committed
fix: compiled training force loss not decreasing
Han Wang
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fix the rmse_v inconsistency but in the dp backend. improve the consistency ut for checking all loss terms.
Han Wang
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fix tests
Han Wang
committed

Commits on Mar 1, 2026

Merge branch 'master' into feat-pt-expt-train
Han Wang
committed
fix ut
Han Wang
committed

Commits on Mar 2, 2026

fix bug
Han Wang
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add training ut for dpa3 model
Han Wang
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fix: load checkpoint before torch.compile to support restart
Han Wang
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fix: remove + self.start_step from both lambdas, since last_epoch already handles the offset.
Han Wang
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add ut
Han Wang
committed

Commits on Mar 3, 2026

feat(pt_expt): run update_sel neighbor statistics on GPU
Han Wang
committed