test(consistent): use ReLU to speedup UTs (#5203)

njzjz · web-flow · commit 9465d71b11ff · 2026-02-08T14:45:40.000Z
&lt;!-- This is an auto-generated comment: release notes by coderabbit.ai
--&gt;

## Summary by CodeRabbit

* **Tests**
* Updated test data configurations across descriptor and fitting test
suites to include standardized activation function parameters, ensuring
consistent test coverage.

&lt;!-- end of auto-generated comment: release notes by coderabbit.ai --&gt;
diff --git a/source/tests/consistent/descriptor/test_dpa1.py b/source/tests/consistent/descriptor/test_dpa1.py
@@ -127,6 +127,7 @@ def data(self) -> dict:
             "type_map": ["O", "H"] if use_econf_tebd else None,
             "seed": 1145141919810,
             "trainable": False,
+            "activation_function": "relu",
         }
 
     def is_meaningless_zero_attention_layer_tests(
diff --git a/source/tests/consistent/descriptor/test_dpa2.py b/source/tests/consistent/descriptor/test_dpa2.py
@@ -132,7 +132,7 @@ def data(self) -> dict:
                     "tebd_dim": 4,
                     "tebd_input_mode": repinit_tebd_input_mode,
                     "set_davg_zero": repinit_set_davg_zero,
-                    "activation_function": "tanh",
+                    "activation_function": "relu",
                     "type_one_side": repinit_type_one_side,
                     "use_three_body": repinit_use_three_body,
                     "three_body_sel": 8,
@@ -163,7 +163,7 @@ def data(self) -> dict:
                     "attn2_hidden": 10,
                     "attn2_nhead": 2,
                     "attn2_has_gate": repformer_attn2_has_gate,
-                    "activation_function": "tanh",
+                    "activation_function": "relu",
                     "update_style": repformer_update_style,
                     "update_residual": 0.001,
                     "update_residual_init": repformer_update_residual_init,
diff --git a/source/tests/consistent/descriptor/test_dpa3.py b/source/tests/consistent/descriptor/test_dpa3.py
@@ -125,7 +125,7 @@ def data(self) -> dict:
                 }
             ),
             # kwargs for descriptor
-            "activation_function": "silu",
+            "activation_function": "relu",
             "precision": precision,
             "exclude_types": exclude_types,
             "env_protection": 0.0,
diff --git a/source/tests/consistent/descriptor/test_hybrid.py b/source/tests/consistent/descriptor/test_hybrid.py
@@ -61,6 +61,7 @@ def data(self) -> dict:
                     "type_one_side": True,
                     "precision": "float64",
                     "seed": 20240229,
+                    "activation_function": "relu",
                 },
                 {
                     "type": "se_e2_a",
@@ -73,6 +74,7 @@ def data(self) -> dict:
                     "type_one_side": True,
                     "precision": "float64",
                     "seed": 20240229,
+                    "activation_function": "relu",
                 },
             ]
         }
diff --git a/source/tests/consistent/descriptor/test_se_atten_v2.py b/source/tests/consistent/descriptor/test_se_atten_v2.py
@@ -124,6 +124,7 @@ def data(self) -> dict:
             "use_tebd_bias": use_tebd_bias,
             "type_map": ["O", "H"] if use_econf_tebd else None,
             "seed": 1145141919810,
+            "activation_function": "relu",
         }
 
     def is_meaningless_zero_attention_layer_tests(
diff --git a/source/tests/consistent/descriptor/test_se_e2_a.py b/source/tests/consistent/descriptor/test_se_e2_a.py
@@ -99,6 +99,7 @@ def data(self) -> dict:
             "env_protection": env_protection,
             "precision": precision,
             "seed": 1145141919810,
+            "activation_function": "relu",
         }
 
     @property
diff --git a/source/tests/consistent/descriptor/test_se_r.py b/source/tests/consistent/descriptor/test_se_r.py
@@ -77,6 +77,7 @@ def data(self) -> dict:
             "exclude_types": excluded_types,
             "precision": precision,
             "seed": 1145141919810,
+            "activation_function": "relu",
         }
 
     @property
diff --git a/source/tests/consistent/descriptor/test_se_t.py b/source/tests/consistent/descriptor/test_se_t.py
@@ -69,6 +69,7 @@ def data(self) -> dict:
             "env_protection": env_protection,
             "precision": precision,
             "seed": 1145141919810,
+            "activation_function": "relu",
         }
 
     @property
diff --git a/source/tests/consistent/descriptor/test_se_t_tebd.py b/source/tests/consistent/descriptor/test_se_t_tebd.py
@@ -98,6 +98,7 @@ def data(self) -> dict:
             "use_tebd_bias": use_tebd_bias,
             "type_map": ["O", "H"] if use_econf_tebd else None,
             "seed": 1145141919810,
+            "activation_function": "relu",
         }
 
     @property
diff --git a/source/tests/consistent/fitting/test_dipole.py b/source/tests/consistent/fitting/test_dipole.py
@@ -78,6 +78,7 @@ def data(self) -> dict:
             "precision": precision,
             "sel_type": sel_type,
             "seed": 20240217,
+            "activation_function": "relu",
         }
         return data
 
diff --git a/source/tests/consistent/fitting/test_dos.py b/source/tests/consistent/fitting/test_dos.py
@@ -83,6 +83,7 @@ def data(self) -> dict:
             "numb_aparam": numb_aparam,
             "seed": 20240217,
             "numb_dos": numb_dos,
+            "activation_function": "relu",
         }
 
     @property
diff --git a/source/tests/consistent/fitting/test_ener.py b/source/tests/consistent/fitting/test_ener.py
@@ -95,6 +95,7 @@ def data(self) -> dict:
             "seed": 20240217,
             "atom_ener": atom_ener,
             "use_aparam_as_mask": use_aparam_as_mask,
+            "activation_function": "relu",
         }
 
     @property
diff --git a/source/tests/consistent/fitting/test_polar.py b/source/tests/consistent/fitting/test_polar.py
@@ -75,6 +75,7 @@ def data(self) -> dict:
             "resnet_dt": resnet_dt,
             "precision": precision,
             "seed": 20240217,
+            "activation_function": "relu",
         }
 
     @property
diff --git a/source/tests/consistent/fitting/test_property.py b/source/tests/consistent/fitting/test_property.py
@@ -87,6 +87,7 @@ def data(self) -> dict:
             "task_dim": task_dim,
             "intensive": intensive,
             "property_name": "foo",
+            "activation_function": "relu",
         }
 
     @property

Original file line number	Diff line number	Diff line change
`@@ -127,6 +127,7 @@ def data(self) -> dict:`
`127`	`127`	`"type_map": ["O", "H"] if use_econf_tebd else None,`
`128`	`128`	`"seed": 1145141919810,`
`129`	`129`	`"trainable": False,`
	`130`	`+ "activation_function": "relu",`
`130`	`131`	`}`
`131`	`132`
`132`	`133`	`def is_meaningless_zero_attention_layer_tests(`
Original file line number	Diff line number	Diff line change
`@@ -125,7 +125,7 @@ def data(self) -> dict:`
`125`	`125`	`}`
`126`	`126`	`),`
`127`	`127`	`# kwargs for descriptor`
`128`		`- "activation_function": "silu",`
	`128`	`+ "activation_function": "relu",`
`129`	`129`	`"precision": precision,`
`130`	`130`	`"exclude_types": exclude_types,`
`131`	`131`	`"env_protection": 0.0,`
Original file line number	Diff line number	Diff line change
`@@ -61,6 +61,7 @@ def data(self) -> dict:`
`61`	`61`	`"type_one_side": True,`
`62`	`62`	`"precision": "float64",`
`63`	`63`	`"seed": 20240229,`
	`64`	`+ "activation_function": "relu",`
`64`	`65`	`},`
`65`	`66`	`{`
`66`	`67`	`"type": "se_e2_a",`
`@@ -73,6 +74,7 @@ def data(self) -> dict:`
`73`	`74`	`"type_one_side": True,`
`74`	`75`	`"precision": "float64",`
`75`	`76`	`"seed": 20240229,`
	`77`	`+ "activation_function": "relu",`
`76`	`78`	`},`
`77`	`79`	`]`
`78`	`80`	`}`
Original file line number	Diff line number	Diff line change
`@@ -124,6 +124,7 @@ def data(self) -> dict:`
`124`	`124`	`"use_tebd_bias": use_tebd_bias,`
`125`	`125`	`"type_map": ["O", "H"] if use_econf_tebd else None,`
`126`	`126`	`"seed": 1145141919810,`
	`127`	`+ "activation_function": "relu",`
`127`	`128`	`}`
`128`	`129`
`129`	`130`	`def is_meaningless_zero_attention_layer_tests(`
Original file line number	Diff line number	Diff line change
`@@ -99,6 +99,7 @@ def data(self) -> dict:`
`99`	`99`	`"env_protection": env_protection,`
`100`	`100`	`"precision": precision,`
`101`	`101`	`"seed": 1145141919810,`
	`102`	`+ "activation_function": "relu",`
`102`	`103`	`}`
`103`	`104`
`104`	`105`	`@property`
Original file line number	Diff line number	Diff line change
`@@ -77,6 +77,7 @@ def data(self) -> dict:`
`77`	`77`	`"exclude_types": excluded_types,`
`78`	`78`	`"precision": precision,`
`79`	`79`	`"seed": 1145141919810,`
	`80`	`+ "activation_function": "relu",`
`80`	`81`	`}`
`81`	`82`
`82`	`83`	`@property`
Original file line number	Diff line number	Diff line change
`@@ -69,6 +69,7 @@ def data(self) -> dict:`
`69`	`69`	`"env_protection": env_protection,`
`70`	`70`	`"precision": precision,`
`71`	`71`	`"seed": 1145141919810,`
	`72`	`+ "activation_function": "relu",`
`72`	`73`	`}`
`73`	`74`
`74`	`75`	`@property`
Original file line number	Diff line number	Diff line change
`@@ -98,6 +98,7 @@ def data(self) -> dict:`
`98`	`98`	`"use_tebd_bias": use_tebd_bias,`
`99`	`99`	`"type_map": ["O", "H"] if use_econf_tebd else None,`
`100`	`100`	`"seed": 1145141919810,`
	`101`	`+ "activation_function": "relu",`
`101`	`102`	`}`
`102`	`103`
`103`	`104`	`@property`
Original file line number	Diff line number	Diff line change
`@@ -78,6 +78,7 @@ def data(self) -> dict:`
`78`	`78`	`"precision": precision,`
`79`	`79`	`"sel_type": sel_type,`
`80`	`80`	`"seed": 20240217,`
	`81`	`+ "activation_function": "relu",`
`81`	`82`	`}`
`82`	`83`	`return data`
`83`	`84`