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doc: use DPA3 instead of DPA-3 (#4792)
<!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **Documentation** - Updated all references of "DPA-3" to "DPA3" and "DPA-2" to "DPA2" across user-facing documentation and example files for consistency. - Corrected descriptor names in docstrings and error messages to match the new naming convention. - No changes to technical content, instructions, or code functionality. <!-- end of auto-generated comment: release notes by coderabbit.ai -->
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README.md

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#### v3
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- Multiple backends supported. Add PyTorch and JAX backends.
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- The DPA-2 and DPA-3 models.
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- The DPA2 and DPA3 models.
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- Plugin mechanisms for external models.
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See [our v3 paper](https://doi.org/10.1021/acs.jctc.5c00340) for details of all features until v3.0.

deepmd/dpmodel/descriptor/dpa3.py

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@BaseDescriptor.register("dpa3")
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class DescrptDPA3(NativeOP, BaseDescriptor):
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r"""The DPA-3 descriptor[1]_.
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r"""The DPA3 descriptor[1]_.
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Parameters
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----------

deepmd/pd/model/descriptor/dpa3.py

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@BaseDescriptor.register("dpa3")
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class DescrptDPA3(BaseDescriptor, paddle.nn.Layer):
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r"""The DPA-3 descriptor[1]_.
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r"""The DPA3 descriptor[1]_.
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Parameters
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----------

deepmd/pt/model/descriptor/dpa3.py

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@BaseDescriptor.register("dpa3")
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class DescrptDPA3(BaseDescriptor, torch.nn.Module):
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r"""The DPA-3 descriptor[1]_.
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r"""The DPA3 descriptor[1]_.
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Parameters
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----------

deepmd/pt/model/descriptor/repflows.py

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) -> torch.Tensor:
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raise NotImplementedError(
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"border_op is not available since customized PyTorch OP library is not built when freezing the model. "
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"See documentation for DPA-3 for details."
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"See documentation for DPA3 for details."
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)
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# Note: this hack cannot actually save a model that can be run using LAMMPS.

doc/model/dpa3.md

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# Descriptor DPA-3 {{ pytorch_icon }} {{ jax_icon }} {{ dpmodel_icon }}
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# Descriptor DPA3 {{ pytorch_icon }} {{ jax_icon }} {{ dpmodel_icon }}
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:::{note}
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**Supported backends**: PyTorch {{ pytorch_icon }}, JAX {{ jax_icon }}, DP {{ dpmodel_icon }}
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:::
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DPA-3 is an advanced interatomic potential leveraging the message passing architecture.
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Designed as a large atomic model (LAM), DPA-3 is tailored to integrate and simultaneously train on datasets from various disciplines,
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DPA3 is an advanced interatomic potential leveraging the message passing architecture.
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Designed as a large atomic model (LAM), DPA3 is tailored to integrate and simultaneously train on datasets from various disciplines,
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encompassing diverse chemical and materials systems across different research domains.
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Its model design ensures exceptional fitting accuracy and robust generalization both within and beyond the training domain.
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Furthermore, DPA-3 maintains energy conservation and respects the physical symmetries of the potential energy surface,
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Furthermore, DPA3 maintains energy conservation and respects the physical symmetries of the potential energy surface,
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making it a dependable tool for a wide range of scientific applications.
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Reference: [DPA-3 paper](https://arxiv.org/abs/2506.01686).
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Reference: [DPA3 paper](https://arxiv.org/abs/2506.01686).
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Training example: `examples/water/dpa3/input_torch.json`.
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## Hyperparameter tests
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We systematically conducted DPA-3 training on six representative DFT datasets (available at [AIS-Square](https://www.aissquare.com/datasets/detail?pageType=datasets&name=DPA3_hyperparameter_search&id=316)):
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We systematically conducted DPA3 training on six representative DFT datasets (available at [AIS-Square](https://www.aissquare.com/datasets/detail?pageType=datasets&name=DPA3_hyperparameter_search&id=316)):
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metallic systems (`Alloy`, `AlMgCu`, `W`), covalent material (`Boron`), molecular system (`Drug`), and liquid water (`Water`).
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Under consistent training conditions (0.5M training steps, batch_size "auto:128"),
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we rigorously evaluated the impacts of some critical hyperparameters on validation accuracy.
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The loss prefactors (0.2|20, 100|60, 0.02|1) correspond to (`start_pref_e`|`limit_pref_e`, `start_pref_f`|`limit_pref_f`, `start_pref_v`|`limit_pref_v`) respectively.
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Virial RMSEs were averaged exclusively for systems containing virial labels (`Alloy`, `AlMgCu`, `W`, and `Boron`).
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Note that we set `float32` in all DPA-3 models, while `float64` in other models by default.
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Note that we set `float32` in all DPA3 models, while `float64` in other models by default.
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## Requirements of installation from source code {{ pytorch_icon }}
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To run the DPA-3 model on LAMMPS via source code installation
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To run the DPA3 model on LAMMPS via source code installation
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(users can skip this step if using [easy installation](../install/easy-install.md)),
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the custom OP library for Python interface integration must be compiled and linked
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during the [model freezing process](../freeze/freeze.md).
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## Data format
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DPA-3 supports both the [standard data format](../data/system.md) and the [mixed type data format](../data/system.md#mixed-type).
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DPA3 supports both the [standard data format](../data/system.md) and the [mixed type data format](../data/system.md#mixed-type).
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## Type embedding
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examples/water/dpa3/README.md

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# Input for the DPA-3 model
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# Input for the DPA3 model
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This directory stores configuration files for training the 6-layer DPA-3 model.
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For comprehensive hyperparameter selection, consult the [DPA-3 documentation](../../../doc/model/dpa3.md/#hyperparameter-tests).
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This directory stores configuration files for training the 6-layer DPA3 model.
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For comprehensive hyperparameter selection, consult the [DPA3 documentation](../../../doc/model/dpa3.md/#hyperparameter-tests).

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