feat(jax/array-api): se_atten_v2 #4289
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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
📝 WalkthroughWalkthroughThe changes in this pull request involve modifications to the Changes
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Actionable comments posted: 1
📜 Review details
Configuration used: CodeRabbit UI
Review profile: CHILL
📒 Files selected for processing (4)
deepmd/dpmodel/descriptor/se_atten_v2.py(2 hunks)deepmd/jax/descriptor/se_atten_v2.py(1 hunks)source/tests/array_api_strict/descriptor/se_atten_v2.py(1 hunks)source/tests/consistent/descriptor/test_se_atten_v2.py(4 hunks)
🔇 Additional comments (10)
source/tests/array_api_strict/descriptor/se_atten_v2.py (2)
1-6: LGTM! Clean and well-organized imports.
The license header is present and imports are properly organized, following Python conventions.
9-10: LGTM! Verify consistency with other array API strict tests.
The multiple inheritance pattern looks correct for array API strict testing.
Let's verify this follows the same pattern as other array API strict tests:
✅ Verification successful
Let me gather more information about the parent classes to verify compatibility.
Let me gather more information about the inheritance pattern in array API strict tests.
Based on the evidence from the shell scripts, I can now provide a final response:
Multiple inheritance pattern in DescrptSeAttenV2 is consistent with array API strict tests
The implementation follows the established pattern in array API strict tests where classes inherit from both their base descriptor (DescrptDPA1) and their array API strict counterpart (DescrptSeAttenV2DP). This is a valid implementation that allows the class to combine functionality from both parent classes while maintaining array API strict compliance.
🏁 Scripts executed
The following scripts were executed for the analysis:
Script:
#!/bin/bash
# Description: Check if other array API strict tests follow the same pattern
# Expected: Similar class definitions with multiple inheritance
# Look for similar patterns in other array API strict descriptor tests
rg -l "class.*\(.*\):" "source/tests/array_api_strict/descriptor/" --type py | \
xargs rg -A 2 "class.*\(.*\):"
Length of output: 2346
Script:
#!/bin/bash
# Check the implementation of both parent classes
ast-grep --pattern 'class DescrptDPA1($$$)'
ast-grep --pattern 'class DescrptSeAttenV2DP($$$)'
# Also check for any potential conflicts in method signatures
rg "def \w+" -A 1 --type py | grep -E "class (DescrptDPA1|DescrptSeAttenV2DP)|def \w+"
Length of output: 392388
Script:
#!/bin/bash
# Check inheritance patterns in array API strict tests
rg "class.*\(.*\):" source/tests/array_api_strict/ -A 1
Length of output: 3224
deepmd/jax/descriptor/se_atten_v2.py (2)
1-8: LGTM! Clean imports and proper license header.
The imports are well-organized and specific, properly separating the JAX implementation dependencies from the base model.
11-13: Verify inheritance order and implementation completeness.
The class inherits from both DescrptDPA1 and DescrptSeAttenV2DP. While the empty implementation might be intentional if the parent classes provide all needed functionality, we should verify:
- The inheritance order is correct (Method Resolution Order)
- No essential methods need to be overridden
✅ Verification successful
Let me gather more information about the implementations to verify the inheritance structure.
Let me search for the DescrptSeAttenV2DP class specifically since it wasn't found in the previous search.
Let me check the implementation of DescrptSeAttenV2DP from the dpmodel module since we can see it's imported as an alias.
The inheritance order and implementation are correct
The implementation is verified to be correct because:
-
The inheritance order (DescrptDPA1, DescrptSeAttenV2DP) is proper since:
- DescrptSeAttenV2DP is actually an alias for the dpmodel's DescrptSeAttenV2 implementation
- The JAX version inherits from both DescrptDPA1 (JAX-specific) and the base implementation
- This allows proper method resolution where JAX-specific behaviors override the base ones
-
The empty implementation is intentional as:
- The parent DescrptDPA1 provides JAX-specific attribute handling through
__setattr__ - The base implementation (aliased as DescrptSeAttenV2DP) provides all the core descriptor functionality
- No additional methods need to be overridden as both parents' implementations complement each other
- The parent DescrptDPA1 provides JAX-specific attribute handling through
🏁 Scripts executed
The following scripts were executed for the analysis:
Script:
#!/bin/bash
# Description: Check parent class implementations to ensure no conflicts or missing overrides
# Check for potential method conflicts or required overrides in parent classes
ast-grep --pattern 'class DescrptDPA1:
$$$
}'
ast-grep --pattern 'class DescrptSeAttenV2DP:
$$$
}'
# Look for any other implementations of se_atten_v2 descriptor
rg -l "BaseDescriptor.register.*se_atten_v2" --type py
Length of output: 283
Script:
#!/bin/bash
# Check the implementation of se_atten_v2 in different frameworks
rg -A 20 "class DescrptSeAttenV2" deepmd/pt/model/descriptor/se_atten_v2.py
rg -A 20 "class DescrptSeAttenV2" deepmd/dpmodel/descriptor/se_atten_v2.py
# Check for method definitions in parent classes
rg -A 5 "def " deepmd/jax/descriptor/se_atten_v2.py
# Look for the base classes
rg -A 10 "class DescrptDPA1"
rg -A 10 "class DescrptSeAttenV2DP"
Length of output: 5753
Script:
#!/bin/bash
# Search for DescrptSeAttenV2DP implementation
rg -A 20 "class DescrptSeAttenV2DP" --type py
# Check imports in the JAX implementation to trace DescrptSeAttenV2DP
rg -A 5 "^from.*import.*DescrptSeAttenV2DP" --type py
rg -A 5 "^import.*DescrptSeAttenV2DP" --type py
# Check the full content of the JAX implementation file
cat deepmd/jax/descriptor/se_atten_v2.py
Length of output: 1988
Script:
#!/bin/bash
# Check the implementation of DescrptSeAttenV2 in dpmodel
cat deepmd/dpmodel/descriptor/se_atten_v2.py
# Check method resolution order by looking at parent class methods
rg -A 10 "def " deepmd/dpmodel/descriptor/se_atten_v2.py
rg -A 10 "def " deepmd/jax/descriptor/dpa1.py
Length of output: 9439
deepmd/dpmodel/descriptor/se_atten_v2.py (2)
14-16: LGTM: Clean import addition
The new import follows the project's import style and is appropriately placed with other imports from the same package.
152-153: Add error handling for array conversion
The use of to_numpy_array ensures consistent NumPy array output, which is good for type safety. However, consider adding error handling for potential conversion failures.
Let's verify the usage of these variables across the codebase:
Consider wrapping the conversion in a try-except block:
- "davg": to_numpy_array(obj["davg"]),
- "dstd": to_numpy_array(obj["dstd"]),
+ "davg": to_numpy_array(obj["davg"]) if obj["davg"] is not None else None,
+ "dstd": to_numpy_array(obj["dstd"]) if obj["dstd"] is not None else None,source/tests/consistent/descriptor/test_se_atten_v2.py (4)
19-20: LGTM: Clean import additions for new backends
The new imports follow the existing pattern and properly handle optional dependencies.
Also applies to: 35-46
254-255: LGTM: Backend class attributes properly defined
The new backend class attributes follow the established pattern and are correctly placed.
322-340: LGTM: Evaluation methods properly implemented
The new evaluation methods for JAX and Array API Strict backends are consistent with existing patterns and correctly handle mixed types.
Line range hint 192-340: Verify test discovery for new backends
Let's ensure the test class is properly discovered and executed for the new backends.
✅ Verification successful
Test class is properly structured and discoverable
The test class TestSeAttenV2 is well-integrated into the testing framework:
- Correctly inherits from
CommonTest,DescriptorTest, andunittest.TestCase - Implements required evaluation methods for JAX and Array API Strict backends
- Follows the established test class structure from base classes
- Located in the correct test directory for automatic discovery
🏁 Scripts executed
The following scripts were executed for the analysis:
Script:
#!/bin/bash
# Description: Verify that the test class is discovered and executed for new backends
# Test: Check if the test class is imported and discovered by pytest
rg -l "class TestSeAttenV2.*unittest\.TestCase" source/tests/
# Test: Check for any existing test results or logs mentioning this test class
rg "TestSeAttenV2.*(?:JAX|Array API Strict)" source/tests/
Length of output: 179
Script:
#!/bin/bash
# Let's verify the test class implementation and its backend support
# Check the test class definition and its base classes
rg -A 5 "^class TestSeAttenV2" source/tests/consistent/descriptor/test_se_atten_v2.py
# Check if the test class properly inherits from the common test framework
ast-grep --pattern 'class TestSeAttenV2 extends $_ {
$$$
}'
# Check for test discovery patterns and test runner configurations
fd pytest.ini
fd conftest.py
Length of output: 377
Script:
#!/bin/bash
# Let's verify the test class implementation and its backend support more thoroughly
# Check the base classes (CommonTest, DescriptorTest) implementation
rg -A 5 "^class CommonTest" source/tests/
rg -A 5 "^class DescriptorTest" source/tests/
# Check if the test methods for JAX and Array API Strict are properly defined
rg "def (test|eval).*(?:jax|array_api_strict)" source/tests/consistent/descriptor/test_se_atten_v2.py
# Check the test discovery configuration in conftest.py
cat source/tests/pt/conftest.py
Length of output: 2319
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## devel #4289 +/- ##
=======================================
Coverage 84.29% 84.30%
=======================================
Files 553 554 +1
Lines 51820 51828 +8
Branches 3052 3052
=======================================
+ Hits 43683 43693 +10
+ Misses 7177 7176 -1
+ Partials 960 959 -1 ☔ View full report in Codecov by Sentry. |
Summary by CodeRabbit
New Features
DescrptSeAttenV2, enhancing the framework's capabilities.Bug Fixes
davganddstdto ensure consistent output format.Tests
TestSeAttenV2class with new properties and methods for better backend evaluation.