docs: improve se_atten documentation #3832
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1. add dpmodel icon to se_atten; 2. merge TF and PT example. There are no differences between them, so only having one is easy to maintain. 3. move data system section in se_atten to the data section, considering dpa2 also uses it.
WalkthroughWalkthroughThe recent changes introduce a new Changes
Sequence Diagram(s) (Beta)sequenceDiagram
participant User
participant SystemFormat
participant DPA2Model
participant SEAttenDescriptor
User->>SystemFormat: Define `mixed_type` format
SystemFormat-->>User: Format defined with virtual atoms
User->>DPA2Model: Use `mixed_type` format
DPA2Model-->>User: Model supports `mixed_type`
User->>SEAttenDescriptor: Use `se_atten` with DP backend
SEAttenDescriptor-->>User: Backend support expanded
User->>SEAttenDescriptor: Use `se_atten_v2` descriptor
SEAttenDescriptor-->>User: Recommended parameters for `se_atten_v2`
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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## devel #3832 +/- ##
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+ Coverage 82.30% 82.48% +0.17%
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Files 513 513
Lines 48993 48993
Branches 2985 2985
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+ Hits 40326 40411 +85
+ Misses 7756 7671 -85
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Outside diff range and nitpick comments (1)
doc/model/train-se-atten.md (1)
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87-100: Replace hard tabs with spaces to maintain consistency in document formatting.- "descriptor" :{ - "type": "se_atten", - "rcut_smth": 0.50, - "rcut": 6.00, - "sel": 120, - "neuron": [25, 50, 100], - "axis_neuron": 16, - "resnet_dt": false, - "attn": 128, - "attn_layer": 2, - "attn_mask": false, - "attn_dotr": true, - "seed": 1 + "descriptor" : { + "type": "se_atten", + "rcut_smth": 0.50, + "rcut": 6.00, + "sel": 120, + "neuron": [25, 50, 100], + "axis_neuron": 16, + "resnet_dt": false, + "attn": 128, + "attn_layer": 2, + "attn_mask": false, + "attn_dotr": true, + "seed": 1
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1. add dpmodel icon to se_atten; 2. merge TF and PT example. There are no differences between them, so only having one is easy to maintain. 3. move data system section in se_atten to the data section, considering dpa2 also uses it. <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **New Features** - Introduced a new `mixed_type` system format to handle frame-sparse systems. - Added support for DP model backend in the `"se_atten"` descriptor. - Recommended using version 2.0 of the attention-based descriptor `"se_atten_v2"` with updated parameters. - **Documentation** - Updated documentation to include the new `mixed_type` format and its properties. - Clarified data format compatibility for DPA-1 and DPA-2 models. - Expanded notes on supported backends for descriptors and recommended descriptor versions. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: Han Wang <92130845+wanghan-iapcm@users.noreply.github.com>
Summary by CodeRabbit
New Features
mixed_typesystem format to handle frame-sparse systems."se_atten"descriptor."se_atten_v2"with updated parameters.Documentation
mixed_typeformat and its properties.