Update README.md
Browse files
README.md
CHANGED
|
@@ -96,25 +96,33 @@ E.g: To predict the Tc value Nd2Fe14B1 magnet composition, the features are Nd=2
|
|
| 96 |
|
| 97 |
The trained model is valid for 14:2:1 phases only, which are stoichiometric compositions and the predicted Tc value is in Kelvin and at room temperature.
|
| 98 |
|
| 99 |
-
|
| 100 |
|
| 101 |
-
<style>#sk-
|
| 102 |
('XGB',
|
| 103 |
-
XGBRegressor(
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 104 |
('RF', RandomForestRegressor(max_depth=100)),
|
| 105 |
('AB',
|
| 106 |
AdaBoostRegressor(base_estimator=RandomForestRegressor(max_depth=50,
|
| 107 |
n_estimators=50),
|
| 108 |
-
learning_rate=0.001))])
|
| 109 |
-
colsample_bynode=1, colsample_bytree=0.4, enable_categorical=False,
|
| 110 |
-
gamma=0, gpu_id=-1, importance_type=None,
|
| 111 |
-
interaction_constraints='', learning_rate=0.2, max_delta_step=0,
|
| 112 |
-
max_depth=2, min_child_weight=1, missing=nan,
|
| 113 |
-
monotone_constraints='()', n_estimators=1000, n_jobs=8,
|
| 114 |
-
num_parallel_tree=1, predictor='auto', random_state=0,
|
| 115 |
-
reg_alpha=0.5, reg_lambda=1, scale_pos_weight=1, subsample=1,
|
| 116 |
-
tree_method='exact', validate_parameters=1, verbosity=None)</pre></div></div></div></div></div></div><div class="sk-parallel-item"><div class="sk-item"><div class="sk-label-container"><div class="sk-label sk-toggleable"><label>RF</label></div></div><div class="sk-serial"><div class="sk-item"><div class="sk-estimator sk-toggleable"><input class="sk-toggleable__control sk-hidden--visually" id="81e64a2b-f6b2-454e-95cd-17433c4898ef" type="checkbox" ><label class="sk-toggleable__label" for="81e64a2b-f6b2-454e-95cd-17433c4898ef">RandomForestRegressor</label><div class="sk-toggleable__content"><pre>RandomForestRegressor(max_depth=100)</pre></div></div></div></div></div></div><div class="sk-parallel-item"><div class="sk-item"><div class="sk-label-container"><div class="sk-label sk-toggleable"><label>AB</label></div></div><div class="sk-serial"><div class="sk-item sk-dashed-wrapped"><div class="sk-parallel"><div class="sk-parallel-item"><div class="sk-item"><div class="sk-serial"><div class="sk-item"><div class="sk-estimator sk-toggleable"><input class="sk-toggleable__control sk-hidden--visually" id="5812381e-9c15-4bd2-9c48-b5f3099af689" type="checkbox" ><label class="sk-toggleable__label" for="5812381e-9c15-4bd2-9c48-b5f3099af689">RandomForestRegressor</label><div class="sk-toggleable__content"><pre>RandomForestRegressor(max_depth=50, n_estimators=50)</pre></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>
|
| 117 |
-
|
| 118 |
**How to use the trained model for inference**
|
| 119 |
|
| 120 |
```python
|
|
|
|
| 96 |
|
| 97 |
The trained model is valid for 14:2:1 phases only, which are stoichiometric compositions and the predicted Tc value is in Kelvin and at room temperature.
|
| 98 |
|
| 99 |
+
**Model Plot**
|
| 100 |
|
| 101 |
+
<style>#sk-31f1492d-398b-4eed-9409-15e41d2ae601 {color: black;background-color: white;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 pre{padding: 0;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-toggleable {background-color: white;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 label.sk-toggleable__label {cursor: pointer;display: block;width: 100%;margin-bottom: 0;padding: 0.2em 0.3em;box-sizing: border-box;text-align: center;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-toggleable__content {max-height: 0;max-width: 0;overflow: hidden;text-align: left;background-color: #f0f8ff;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-toggleable__content pre {margin: 0.2em;color: black;border-radius: 0.25em;background-color: #f0f8ff;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 input.sk-toggleable__control:checked~div.sk-toggleable__content {max-height: 200px;max-width: 100%;overflow: auto;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-estimator input.sk-toggleable__control:checked~label.sk-toggleable__label {background-color: #d4ebff;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-label input.sk-toggleable__control:checked~label.sk-toggleable__label {background-color: #d4ebff;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 input.sk-hidden--visually {border: 0;clip: rect(1px 1px 1px 1px);clip: rect(1px, 1px, 1px, 1px);height: 1px;margin: -1px;overflow: hidden;padding: 0;position: absolute;width: 1px;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-estimator {font-family: monospace;background-color: #f0f8ff;margin: 0.25em 0.25em;border: 1px dotted black;border-radius: 0.25em;box-sizing: border-box;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-estimator:hover {background-color: #d4ebff;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-parallel-item::after {content: "";width: 100%;border-bottom: 1px solid gray;flex-grow: 1;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-label:hover label.sk-toggleable__label {background-color: #d4ebff;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-serial::before {content: "";position: absolute;border-left: 1px solid gray;box-sizing: border-box;top: 2em;bottom: 0;left: 50%;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-serial {display: flex;flex-direction: column;align-items: center;background-color: white;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-item {z-index: 1;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-parallel {display: flex;align-items: stretch;justify-content: center;background-color: white;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-parallel-item {display: flex;flex-direction: column;position: relative;background-color: white;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-parallel-item:first-child::after {align-self: flex-end;width: 50%;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-parallel-item:last-child::after {align-self: flex-start;width: 50%;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-parallel-item:only-child::after {width: 0;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-dashed-wrapped {border: 1px dashed gray;margin: 0.2em;box-sizing: border-box;padding-bottom: 0.1em;background-color: white;position: relative;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-label label {font-family: monospace;font-weight: bold;background-color: white;display: inline-block;line-height: 1.2em;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-label-container {position: relative;z-index: 2;text-align: center;}#sk-31f1492d-398b-4eed-9409-15e41d2ae601 div.sk-container {display: inline-block;position: relative;}</style><div id="sk-31f1492d-398b-4eed-9409-15e41d2ae601" class"sk-top-container"><div class="sk-container"><div class="sk-item sk-dashed-wrapped"><div class="sk-label-container"><div class="sk-label sk-toggleable"><input class="sk-toggleable__control sk-hidden--visually" id="ef7a2220-1243-414d-9815-7f672754c9cf" type="checkbox" ><label class="sk-toggleable__label" for="ef7a2220-1243-414d-9815-7f672754c9cf">VotingRegressor</label><div class="sk-toggleable__content"><pre>VotingRegressor(estimators=[('ET', ExtraTreesRegressor()),
|
| 102 |
('XGB',
|
| 103 |
+
XGBRegressor(alpha=0.5, base_score=0.5,
|
| 104 |
+
booster='gbtree', colsample_bylevel=1,
|
| 105 |
+
colsample_bynode=1,
|
| 106 |
+
colsample_bytree=0.4,
|
| 107 |
+
enable_categorical=False, gamma=0,
|
| 108 |
+
gpu_id=-1, importance_type=None,
|
| 109 |
+
interaction_constraints='',
|
| 110 |
+
learning_rate=0.2, max_delta_step=0,
|
| 111 |
+
max_depth=2, min_child_weight=1,
|
| 112 |
+
missing=nan,
|
| 113 |
+
mo...
|
| 114 |
+
n_estimators=1000, n_jobs=8,
|
| 115 |
+
num_parallel_tree=1, predictor='auto',
|
| 116 |
+
random_state=0, reg_alpha=0.5,
|
| 117 |
+
reg_lambda=1, scale_pos_weight=1,
|
| 118 |
+
subsample=1, tree_method='exact',
|
| 119 |
+
validate_parameters=1,
|
| 120 |
+
verbosity=None)),
|
| 121 |
('RF', RandomForestRegressor(max_depth=100)),
|
| 122 |
('AB',
|
| 123 |
AdaBoostRegressor(base_estimator=RandomForestRegressor(max_depth=50,
|
| 124 |
n_estimators=50),
|
| 125 |
+
learning_rate=0.001))])
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 126 |
**How to use the trained model for inference**
|
| 127 |
|
| 128 |
```python
|