with my repo on 4762f65 I am experiencing one test failure; open to see details
pytest
=========================================================================== test session starts ============================================================================
platform darwin -- Python 3.12.3, pytest-8.1.1, pluggy-1.4.0
rootdir: /private/tmp/IKPLS
configfile: pyproject.toml
collected 26 items
tests/test_ikpls.py ..........F............... [100%]
===================================== FAILURES ======================================
___________________________ TestClass.test_gradient_pls_1 ___________________________
self = <tests.test_ikpls.TestClass object at 0x156a850d0>
def test_gradient_pls_1(self):
"""
Description
-----------
This test loads input predictor variables and a target variable with a single
column and calls the 'check_gradient_pls' method to validate the gradient
propagation for reverse-mode differentiable JAX PLS.
Returns:
None
"""
X = self.load_X()
Y = self.load_Y(["Protein"])
num_components = 25
filter_size = 7
assert Y.shape[1] == 1
X=X,
Y=Y,
num_components=num_components,
filter_size=filter_size,
val_atol=0,
val_rtol=1e-5,
grad_atol=0,
grad_rtol=1e-5,
)
tests/test_ikpls.py:2191:
tests/test_ikpls.py:2173: in check_gradient_pls
assert_allclose(output_val_alg_2, output_val_diff_alg_2, atol=0, rtol=2e-11)
args = (<function assert_allclose..compare at 0x15a5949a0>, array(12.5455451), array(12.5455451))
kwds = {'equal_nan': True, 'err_msg': '', 'header': 'Not equal to tolerance rtol=2e-11, atol=0', 'verbose': True}
@wraps(func)
def inner(*args, **kwds):
with self._recreate_cm():
return func(*args, **kwds)
E AssertionError:
E Not equal to tolerance rtol=2e-11, atol=0
E
E Mismatched elements: 1 / 1 (100%)
E Max absolute difference: 3.54010155e-10
E Max relative difference: 2.8217997e-11
E x: array(12.545545)
E y: array(12.545545)
/Users/tparment/miniconda3/envs/my-ikpls/lib/python3.12/contextlib.py:81: AssertionError
------------------------------- Captured stdout call --------------------------------
stateless_fit for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_preprocess_input_matrices for Improved Kernel PLS Algorithm #1 will be JIT compiled...
get_means for Improved Kernel PLS Algorithm #1 will be JIT compiled...
get_stds for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_get_initial_matrices for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_step_1 for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_main_loop_body for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_step_2 for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_step_3 for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_step_3_body for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_step_4 for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_step_5 for Improved Kernel PLS Algorithm #1 will be JIT compiled...
stateless_predict for Improved Kernel PLS Algorithm #1 will be JIT compiled...
stateless_fit for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_preprocess_input_matrices for Improved Kernel PLS Algorithm #2 will be JIT compiled...
get_means for Improved Kernel PLS Algorithm #2 will be JIT compiled...
get_stds for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_get_initial_matrices for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_step_1 for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_main_loop_body for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_step_2 for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_step_3 for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_step_3_body for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_step_4 for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_step_5 for Improved Kernel PLS Algorithm #2 will be JIT compiled...
stateless_predict for Improved Kernel PLS Algorithm #2 will be JIT compiled...
stateless_fit for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_preprocess_input_matrices for Improved Kernel PLS Algorithm #1 will be JIT compiled...
get_means for Improved Kernel PLS Algorithm #1 will be JIT compiled...
get_stds for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_get_initial_matrices for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_step_1 for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_main_loop_body for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_step_2 for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_step_3 for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_step_3_body for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_step_4 for Improved Kernel PLS Algorithm #1 will be JIT compiled...
_step_5 for Improved Kernel PLS Algorithm #1 will be JIT compiled...
stateless_predict for Improved Kernel PLS Algorithm #1 will be JIT compiled...
stateless_fit for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_preprocess_input_matrices for Improved Kernel PLS Algorithm #2 will be JIT compiled...
get_means for Improved Kernel PLS Algorithm #2 will be JIT compiled...
get_stds for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_get_initial_matrices for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_step_1 for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_main_loop_body for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_step_2 for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_step_3 for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_step_3_body for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_step_4 for Improved Kernel PLS Algorithm #2 will be JIT compiled...
_step_5 for Improved Kernel PLS Algorithm #2 will be JIT compiled...
stateless_predict for Improved Kernel PLS Algorithm #2 will be JIT compiled...
============================== short test summary info ==============================
FAILED tests/test_ikpls.py::TestClass::test_gradient_pls_1 - AssertionError:
===================== 1 failed, 25 passed in 1403.61s (0:23:23) =====================