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Browse files- checkpoint-3200/config.json +33 -0
- checkpoint-3200/optimizer.pt +3 -0
- checkpoint-3200/pytorch_model.bin +3 -0
- checkpoint-3200/rng_state.pth +3 -0
- checkpoint-3200/scheduler.pt +3 -0
- checkpoint-3200/trainer_state.json +602 -0
- checkpoint-3200/training_args.bin +3 -0
- config.json +33 -0
- freesolv.out +436 -0
- pytorch_model.bin +3 -0
- runs/Apr09_13-57-51_lotan/1649512677.7022407/events.out.tfevents.1649512677.lotan.2908015.1 +3 -0
- runs/Apr09_13-57-51_lotan/events.out.tfevents.1649512677.lotan.2908015.0 +3 -0
- training_args.bin +3 -0
checkpoint-3200/config.json
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{
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"_name_or_path": "data/saved_models/our_90epochs_saved_model",
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"architectures": [
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"RobertaForSelfiesClassification"
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],
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"hidden_act": "gelu",
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"hidden_size": 768,
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"id2label": {
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"0": "LABEL_0"
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"layer_norm_eps": 1e-12,
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"max_position_embeddings": 514,
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"model_type": "roberta",
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"num_attention_heads": 4,
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"pad_token_id": 1,
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"position_embedding_type": "absolute",
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"torch_dtype": "float32",
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"transformers_version": "4.15.0",
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"type_vocab_size": 1,
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"use_cache": true,
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}
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checkpoint-3200/optimizer.pt
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version https://git-lfs.github.com/spec/v1
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checkpoint-3200/pytorch_model.bin
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checkpoint-3200/rng_state.pth
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checkpoint-3200/scheduler.pt
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size 623
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checkpoint-3200/trainer_state.json
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|
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|
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}
|
checkpoint-3200/training_args.bin
ADDED
@@ -0,0 +1,3 @@
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version https://git-lfs.github.com/spec/v1
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size 2927
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config.json
ADDED
@@ -0,0 +1,33 @@
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{
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"_name_or_path": "data/saved_models/our_90epochs_saved_model",
|
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"architectures": [
|
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"RobertaForSelfiesClassification"
|
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],
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"hidden_size": 768,
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"0": "LABEL_0"
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"max_position_embeddings": 514,
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"model_type": "roberta",
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"num_attention_heads": 4,
|
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"num_hidden_layers": 12,
|
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"pad_token_id": 1,
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"position_embedding_type": "absolute",
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"torch_dtype": "float32",
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"transformers_version": "4.15.0",
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"type_vocab_size": 1,
|
31 |
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"use_cache": true,
|
32 |
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"vocab_size": 800
|
33 |
+
}
|
freesolv.out
ADDED
@@ -0,0 +1,436 @@
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|
|
1 |
+
Some weights of the model checkpoint at data/saved_models/our_90epochs_saved_model were not used when initializing RobertaForSelfiesClassification: ['lm_head.dense.weight', 'lm_head.layer_norm.weight', 'lm_head.layer_norm.bias', 'lm_head.bias', 'lm_head.dense.bias']
|
2 |
+
- This IS expected if you are initializing RobertaForSelfiesClassification from the checkpoint of a model trained on another task or with another architecture (e.g. initializing a BertForSequenceClassification model from a BertForPreTraining model).
|
3 |
+
- This IS NOT expected if you are initializing RobertaForSelfiesClassification from the checkpoint of a model that you expect to be exactly identical (initializing a BertForSequenceClassification model from a BertForSequenceClassification model).
|
4 |
+
Some weights of RobertaForSelfiesClassification were not initialized from the model checkpoint at data/saved_models/our_90epochs_saved_model and are newly initialized: ['classifier.dense.weight', 'classifier.dense.bias', 'classifier.out_proj.weight', 'classifier.out_proj.bias', 'roberta.pooler.dense.bias', 'roberta.pooler.dense.weight']
|
5 |
+
You should probably TRAIN this model on a down-stream task to be able to use it for predictions and inference.
|
6 |
+
Not using a scaler.
|
7 |
+
***** Running training *****
|
8 |
+
Num examples = 511
|
9 |
+
Num Epochs = 50
|
10 |
+
Instantaneous batch size per device = 8
|
11 |
+
Total train batch size (w. parallel, distributed & accumulation) = 8
|
12 |
+
Gradient Accumulation steps = 1
|
13 |
+
Total optimization steps = 3200
|
14 |
+
***** Running Evaluation *****
|
15 |
+
Num examples = 64
|
16 |
+
Batch size = 8
|
17 |
+
{'eval_loss': 30.29538917541504, 'eval_mse': 30.29538917541504, 'eval_rmse': 5.504124641418457, 'eval_mae': 3.445791244506836, 'eval_runtime': 0.1613, 'eval_samples_per_second': 396.717, 'eval_steps_per_second': 49.59, 'epoch': 1.0}
|
18 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-64
|
19 |
+
Configuration saved in our_freesolv_model/checkpoint-64/config.json
|
20 |
+
Model weights saved in our_freesolv_model/checkpoint-64/pytorch_model.bin
|
21 |
+
***** Running Evaluation *****
|
22 |
+
Num examples = 64
|
23 |
+
Batch size = 8
|
24 |
+
{'eval_loss': 22.2762508392334, 'eval_mse': 22.276248931884766, 'eval_rmse': 4.7197723388671875, 'eval_mae': 2.9041895866394043, 'eval_runtime': 0.1462, 'eval_samples_per_second': 437.674, 'eval_steps_per_second': 54.709, 'epoch': 2.0}
|
25 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-128
|
26 |
+
Configuration saved in our_freesolv_model/checkpoint-128/config.json
|
27 |
+
Model weights saved in our_freesolv_model/checkpoint-128/pytorch_model.bin
|
28 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-64] due to args.save_total_limit
|
29 |
+
***** Running Evaluation *****
|
30 |
+
Num examples = 64
|
31 |
+
Batch size = 8
|
32 |
+
{'eval_loss': 19.444108963012695, 'eval_mse': 19.444108963012695, 'eval_rmse': 4.409547328948975, 'eval_mae': 2.726284980773926, 'eval_runtime': 0.2087, 'eval_samples_per_second': 306.646, 'eval_steps_per_second': 38.331, 'epoch': 3.0}
|
33 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-192
|
34 |
+
Configuration saved in our_freesolv_model/checkpoint-192/config.json
|
35 |
+
Model weights saved in our_freesolv_model/checkpoint-192/pytorch_model.bin
|
36 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-128] due to args.save_total_limit
|
37 |
+
***** Running Evaluation *****
|
38 |
+
Num examples = 64
|
39 |
+
Batch size = 8
|
40 |
+
{'eval_loss': 17.12045669555664, 'eval_mse': 17.12045669555664, 'eval_rmse': 4.1376872062683105, 'eval_mae': 2.5535168647766113, 'eval_runtime': 0.3272, 'eval_samples_per_second': 195.59, 'eval_steps_per_second': 24.449, 'epoch': 4.0}
|
41 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-256
|
42 |
+
Configuration saved in our_freesolv_model/checkpoint-256/config.json
|
43 |
+
Model weights saved in our_freesolv_model/checkpoint-256/pytorch_model.bin
|
44 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-192] due to args.save_total_limit
|
45 |
+
***** Running Evaluation *****
|
46 |
+
Num examples = 64
|
47 |
+
Batch size = 8
|
48 |
+
{'eval_loss': 16.316720962524414, 'eval_mse': 16.316720962524414, 'eval_rmse': 4.039396286010742, 'eval_mae': 2.692227840423584, 'eval_runtime': 0.4287, 'eval_samples_per_second': 149.284, 'eval_steps_per_second': 18.661, 'epoch': 5.0}
|
49 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-320
|
50 |
+
Configuration saved in our_freesolv_model/checkpoint-320/config.json
|
51 |
+
Model weights saved in our_freesolv_model/checkpoint-320/pytorch_model.bin
|
52 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-256] due to args.save_total_limit
|
53 |
+
***** Running Evaluation *****
|
54 |
+
Num examples = 64
|
55 |
+
Batch size = 8
|
56 |
+
{'eval_loss': 15.293220520019531, 'eval_mse': 15.293218612670898, 'eval_rmse': 3.9106545448303223, 'eval_mae': 2.601778268814087, 'eval_runtime': 0.2956, 'eval_samples_per_second': 216.483, 'eval_steps_per_second': 27.06, 'epoch': 6.0}
|
57 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-384
|
58 |
+
Configuration saved in our_freesolv_model/checkpoint-384/config.json
|
59 |
+
Model weights saved in our_freesolv_model/checkpoint-384/pytorch_model.bin
|
60 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-320] due to args.save_total_limit
|
61 |
+
***** Running Evaluation *****
|
62 |
+
Num examples = 64
|
63 |
+
Batch size = 8
|
64 |
+
{'eval_loss': 14.56900691986084, 'eval_mse': 14.569008827209473, 'eval_rmse': 3.816937208175659, 'eval_mae': 2.5558180809020996, 'eval_runtime': 0.4164, 'eval_samples_per_second': 153.681, 'eval_steps_per_second': 19.21, 'epoch': 7.0}
|
65 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-448
|
66 |
+
Configuration saved in our_freesolv_model/checkpoint-448/config.json
|
67 |
+
Model weights saved in our_freesolv_model/checkpoint-448/pytorch_model.bin
|
68 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-384] due to args.save_total_limit
|
69 |
+
{'loss': 3.9689, 'learning_rate': 8.4375e-06, 'epoch': 7.81}
|
70 |
+
***** Running Evaluation *****
|
71 |
+
Num examples = 64
|
72 |
+
Batch size = 8
|
73 |
+
{'eval_loss': 13.64460277557373, 'eval_mse': 13.64460277557373, 'eval_rmse': 3.6938600540161133, 'eval_mae': 2.39548397064209, 'eval_runtime': 0.4311, 'eval_samples_per_second': 148.456, 'eval_steps_per_second': 18.557, 'epoch': 8.0}
|
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+
Saving model checkpoint to our_freesolv_model/checkpoint-512
|
75 |
+
Configuration saved in our_freesolv_model/checkpoint-512/config.json
|
76 |
+
Model weights saved in our_freesolv_model/checkpoint-512/pytorch_model.bin
|
77 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-448] due to args.save_total_limit
|
78 |
+
***** Running Evaluation *****
|
79 |
+
Num examples = 64
|
80 |
+
Batch size = 8
|
81 |
+
{'eval_loss': 13.105853080749512, 'eval_mse': 13.105853080749512, 'eval_rmse': 3.6202006340026855, 'eval_mae': 2.4013423919677734, 'eval_runtime': 0.4297, 'eval_samples_per_second': 148.951, 'eval_steps_per_second': 18.619, 'epoch': 9.0}
|
82 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-576
|
83 |
+
Configuration saved in our_freesolv_model/checkpoint-576/config.json
|
84 |
+
Model weights saved in our_freesolv_model/checkpoint-576/pytorch_model.bin
|
85 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-512] due to args.save_total_limit
|
86 |
+
***** Running Evaluation *****
|
87 |
+
Num examples = 64
|
88 |
+
Batch size = 8
|
89 |
+
{'eval_loss': 13.048660278320312, 'eval_mse': 13.048660278320312, 'eval_rmse': 3.612293004989624, 'eval_mae': 2.3826305866241455, 'eval_runtime': 0.2978, 'eval_samples_per_second': 214.88, 'eval_steps_per_second': 26.86, 'epoch': 10.0}
|
90 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-640
|
91 |
+
Configuration saved in our_freesolv_model/checkpoint-640/config.json
|
92 |
+
Model weights saved in our_freesolv_model/checkpoint-640/pytorch_model.bin
|
93 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-576] due to args.save_total_limit
|
94 |
+
***** Running Evaluation *****
|
95 |
+
Num examples = 64
|
96 |
+
Batch size = 8
|
97 |
+
{'eval_loss': 12.558533668518066, 'eval_mse': 12.55853271484375, 'eval_rmse': 3.54380202293396, 'eval_mae': 2.3683643341064453, 'eval_runtime': 0.4369, 'eval_samples_per_second': 146.483, 'eval_steps_per_second': 18.31, 'epoch': 11.0}
|
98 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-704
|
99 |
+
Configuration saved in our_freesolv_model/checkpoint-704/config.json
|
100 |
+
Model weights saved in our_freesolv_model/checkpoint-704/pytorch_model.bin
|
101 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-640] due to args.save_total_limit
|
102 |
+
***** Running Evaluation *****
|
103 |
+
Num examples = 64
|
104 |
+
Batch size = 8
|
105 |
+
{'eval_loss': 12.03190803527832, 'eval_mse': 12.03190803527832, 'eval_rmse': 3.4687039852142334, 'eval_mae': 2.2633650302886963, 'eval_runtime': 0.4152, 'eval_samples_per_second': 154.131, 'eval_steps_per_second': 19.266, 'epoch': 12.0}
|
106 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-768
|
107 |
+
Configuration saved in our_freesolv_model/checkpoint-768/config.json
|
108 |
+
Model weights saved in our_freesolv_model/checkpoint-768/pytorch_model.bin
|
109 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-704] due to args.save_total_limit
|
110 |
+
***** Running Evaluation *****
|
111 |
+
Num examples = 64
|
112 |
+
Batch size = 8
|
113 |
+
{'eval_loss': 12.05549144744873, 'eval_mse': 12.05549144744873, 'eval_rmse': 3.472101926803589, 'eval_mae': 2.288928508758545, 'eval_runtime': 0.4311, 'eval_samples_per_second': 148.454, 'eval_steps_per_second': 18.557, 'epoch': 13.0}
|
114 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-832
|
115 |
+
Configuration saved in our_freesolv_model/checkpoint-832/config.json
|
116 |
+
Model weights saved in our_freesolv_model/checkpoint-832/pytorch_model.bin
|
117 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-768] due to args.save_total_limit
|
118 |
+
***** Running Evaluation *****
|
119 |
+
Num examples = 64
|
120 |
+
Batch size = 8
|
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+
{'eval_loss': 11.724568367004395, 'eval_mse': 11.724568367004395, 'eval_rmse': 3.4241156578063965, 'eval_mae': 2.2129979133605957, 'eval_runtime': 0.4413, 'eval_samples_per_second': 145.038, 'eval_steps_per_second': 18.13, 'epoch': 14.0}
|
122 |
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Saving model checkpoint to our_freesolv_model/checkpoint-896
|
123 |
+
Configuration saved in our_freesolv_model/checkpoint-896/config.json
|
124 |
+
Model weights saved in our_freesolv_model/checkpoint-896/pytorch_model.bin
|
125 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-832] due to args.save_total_limit
|
126 |
+
***** Running Evaluation *****
|
127 |
+
Num examples = 64
|
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+
Batch size = 8
|
129 |
+
{'eval_loss': 11.610068321228027, 'eval_mse': 11.610069274902344, 'eval_rmse': 3.4073550701141357, 'eval_mae': 2.238194227218628, 'eval_runtime': 0.41, 'eval_samples_per_second': 156.087, 'eval_steps_per_second': 19.511, 'epoch': 15.0}
|
130 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-960
|
131 |
+
Configuration saved in our_freesolv_model/checkpoint-960/config.json
|
132 |
+
Model weights saved in our_freesolv_model/checkpoint-960/pytorch_model.bin
|
133 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-896] due to args.save_total_limit
|
134 |
+
{'loss': 0.8847, 'learning_rate': 6.875e-06, 'epoch': 15.62}
|
135 |
+
***** Running Evaluation *****
|
136 |
+
Num examples = 64
|
137 |
+
Batch size = 8
|
138 |
+
{'eval_loss': 11.409879684448242, 'eval_mse': 11.40987777709961, 'eval_rmse': 3.3778510093688965, 'eval_mae': 2.171018123626709, 'eval_runtime': 0.4279, 'eval_samples_per_second': 149.579, 'eval_steps_per_second': 18.697, 'epoch': 16.0}
|
139 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-1024
|
140 |
+
Configuration saved in our_freesolv_model/checkpoint-1024/config.json
|
141 |
+
Model weights saved in our_freesolv_model/checkpoint-1024/pytorch_model.bin
|
142 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-960] due to args.save_total_limit
|
143 |
+
***** Running Evaluation *****
|
144 |
+
Num examples = 64
|
145 |
+
Batch size = 8
|
146 |
+
{'eval_loss': 11.323513984680176, 'eval_mse': 11.323514938354492, 'eval_rmse': 3.3650431632995605, 'eval_mae': 2.1948208808898926, 'eval_runtime': 0.4359, 'eval_samples_per_second': 146.809, 'eval_steps_per_second': 18.351, 'epoch': 17.0}
|
147 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-1088
|
148 |
+
Configuration saved in our_freesolv_model/checkpoint-1088/config.json
|
149 |
+
Model weights saved in our_freesolv_model/checkpoint-1088/pytorch_model.bin
|
150 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1024] due to args.save_total_limit
|
151 |
+
***** Running Evaluation *****
|
152 |
+
Num examples = 64
|
153 |
+
Batch size = 8
|
154 |
+
{'eval_loss': 10.922426223754883, 'eval_mse': 10.9224271774292, 'eval_rmse': 3.3049094676971436, 'eval_mae': 2.1065478324890137, 'eval_runtime': 0.4318, 'eval_samples_per_second': 148.218, 'eval_steps_per_second': 18.527, 'epoch': 18.0}
|
155 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-1152
|
156 |
+
Configuration saved in our_freesolv_model/checkpoint-1152/config.json
|
157 |
+
Model weights saved in our_freesolv_model/checkpoint-1152/pytorch_model.bin
|
158 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1088] due to args.save_total_limit
|
159 |
+
***** Running Evaluation *****
|
160 |
+
Num examples = 64
|
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+
Batch size = 8
|
162 |
+
{'eval_loss': 10.802040100097656, 'eval_mse': 10.80203914642334, 'eval_rmse': 3.2866456508636475, 'eval_mae': 2.1256909370422363, 'eval_runtime': 0.2822, 'eval_samples_per_second': 226.81, 'eval_steps_per_second': 28.351, 'epoch': 19.0}
|
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Saving model checkpoint to our_freesolv_model/checkpoint-1216
|
164 |
+
Configuration saved in our_freesolv_model/checkpoint-1216/config.json
|
165 |
+
Model weights saved in our_freesolv_model/checkpoint-1216/pytorch_model.bin
|
166 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1152] due to args.save_total_limit
|
167 |
+
***** Running Evaluation *****
|
168 |
+
Num examples = 64
|
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+
Batch size = 8
|
170 |
+
{'eval_loss': 10.668560981750488, 'eval_mse': 10.668560981750488, 'eval_rmse': 3.2662763595581055, 'eval_mae': 2.102822780609131, 'eval_runtime': 0.4297, 'eval_samples_per_second': 148.924, 'eval_steps_per_second': 18.616, 'epoch': 20.0}
|
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Saving model checkpoint to our_freesolv_model/checkpoint-1280
|
172 |
+
Configuration saved in our_freesolv_model/checkpoint-1280/config.json
|
173 |
+
Model weights saved in our_freesolv_model/checkpoint-1280/pytorch_model.bin
|
174 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1216] due to args.save_total_limit
|
175 |
+
***** Running Evaluation *****
|
176 |
+
Num examples = 64
|
177 |
+
Batch size = 8
|
178 |
+
{'eval_loss': 10.928054809570312, 'eval_mse': 10.928054809570312, 'eval_rmse': 3.3057608604431152, 'eval_mae': 2.201329231262207, 'eval_runtime': 0.4133, 'eval_samples_per_second': 154.835, 'eval_steps_per_second': 19.354, 'epoch': 21.0}
|
179 |
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Saving model checkpoint to our_freesolv_model/checkpoint-1344
|
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+
Configuration saved in our_freesolv_model/checkpoint-1344/config.json
|
181 |
+
Model weights saved in our_freesolv_model/checkpoint-1344/pytorch_model.bin
|
182 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1280] due to args.save_total_limit
|
183 |
+
***** Running Evaluation *****
|
184 |
+
Num examples = 64
|
185 |
+
Batch size = 8
|
186 |
+
{'eval_loss': 10.920714378356934, 'eval_mse': 10.920713424682617, 'eval_rmse': 3.30465030670166, 'eval_mae': 2.1609740257263184, 'eval_runtime': 0.4362, 'eval_samples_per_second': 146.723, 'eval_steps_per_second': 18.34, 'epoch': 22.0}
|
187 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-1408
|
188 |
+
Configuration saved in our_freesolv_model/checkpoint-1408/config.json
|
189 |
+
Model weights saved in our_freesolv_model/checkpoint-1408/pytorch_model.bin
|
190 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1344] due to args.save_total_limit
|
191 |
+
***** Running Evaluation *****
|
192 |
+
Num examples = 64
|
193 |
+
Batch size = 8
|
194 |
+
{'eval_loss': 10.914674758911133, 'eval_mse': 10.914674758911133, 'eval_rmse': 3.303736448287964, 'eval_mae': 2.1464970111846924, 'eval_runtime': 0.3154, 'eval_samples_per_second': 202.948, 'eval_steps_per_second': 25.369, 'epoch': 23.0}
|
195 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-1472
|
196 |
+
Configuration saved in our_freesolv_model/checkpoint-1472/config.json
|
197 |
+
Model weights saved in our_freesolv_model/checkpoint-1472/pytorch_model.bin
|
198 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1408] due to args.save_total_limit
|
199 |
+
{'loss': 0.6489, 'learning_rate': 5.3125e-06, 'epoch': 23.44}
|
200 |
+
***** Running Evaluation *****
|
201 |
+
Num examples = 64
|
202 |
+
Batch size = 8
|
203 |
+
{'eval_loss': 10.826024055480957, 'eval_mse': 10.826024055480957, 'eval_rmse': 3.290292501449585, 'eval_mae': 2.166719436645508, 'eval_runtime': 0.4282, 'eval_samples_per_second': 149.463, 'eval_steps_per_second': 18.683, 'epoch': 24.0}
|
204 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-1536
|
205 |
+
Configuration saved in our_freesolv_model/checkpoint-1536/config.json
|
206 |
+
Model weights saved in our_freesolv_model/checkpoint-1536/pytorch_model.bin
|
207 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1472] due to args.save_total_limit
|
208 |
+
***** Running Evaluation *****
|
209 |
+
Num examples = 64
|
210 |
+
Batch size = 8
|
211 |
+
{'eval_loss': 10.914568901062012, 'eval_mse': 10.914569854736328, 'eval_rmse': 3.303720712661743, 'eval_mae': 2.1764001846313477, 'eval_runtime': 0.4401, 'eval_samples_per_second': 145.428, 'eval_steps_per_second': 18.178, 'epoch': 25.0}
|
212 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-1600
|
213 |
+
Configuration saved in our_freesolv_model/checkpoint-1600/config.json
|
214 |
+
Model weights saved in our_freesolv_model/checkpoint-1600/pytorch_model.bin
|
215 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1536] due to args.save_total_limit
|
216 |
+
***** Running Evaluation *****
|
217 |
+
Num examples = 64
|
218 |
+
Batch size = 8
|
219 |
+
{'eval_loss': 11.035606384277344, 'eval_mse': 11.035605430603027, 'eval_rmse': 3.321988105773926, 'eval_mae': 2.2225704193115234, 'eval_runtime': 0.4326, 'eval_samples_per_second': 147.959, 'eval_steps_per_second': 18.495, 'epoch': 26.0}
|
220 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-1664
|
221 |
+
Configuration saved in our_freesolv_model/checkpoint-1664/config.json
|
222 |
+
Model weights saved in our_freesolv_model/checkpoint-1664/pytorch_model.bin
|
223 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1600] due to args.save_total_limit
|
224 |
+
***** Running Evaluation *****
|
225 |
+
Num examples = 64
|
226 |
+
Batch size = 8
|
227 |
+
{'eval_loss': 11.038973808288574, 'eval_mse': 11.038971900939941, 'eval_rmse': 3.3224947452545166, 'eval_mae': 2.2142393589019775, 'eval_runtime': 0.435, 'eval_samples_per_second': 147.12, 'eval_steps_per_second': 18.39, 'epoch': 27.0}
|
228 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-1728
|
229 |
+
Configuration saved in our_freesolv_model/checkpoint-1728/config.json
|
230 |
+
Model weights saved in our_freesolv_model/checkpoint-1728/pytorch_model.bin
|
231 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1664] due to args.save_total_limit
|
232 |
+
***** Running Evaluation *****
|
233 |
+
Num examples = 64
|
234 |
+
Batch size = 8
|
235 |
+
{'eval_loss': 11.178277015686035, 'eval_mse': 11.178277015686035, 'eval_rmse': 3.343393087387085, 'eval_mae': 2.2388522624969482, 'eval_runtime': 0.4403, 'eval_samples_per_second': 145.349, 'eval_steps_per_second': 18.169, 'epoch': 28.0}
|
236 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-1792
|
237 |
+
Configuration saved in our_freesolv_model/checkpoint-1792/config.json
|
238 |
+
Model weights saved in our_freesolv_model/checkpoint-1792/pytorch_model.bin
|
239 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1728] due to args.save_total_limit
|
240 |
+
***** Running Evaluation *****
|
241 |
+
Num examples = 64
|
242 |
+
Batch size = 8
|
243 |
+
{'eval_loss': 10.676009178161621, 'eval_mse': 10.676008224487305, 'eval_rmse': 3.26741623878479, 'eval_mae': 2.163010358810425, 'eval_runtime': 0.4243, 'eval_samples_per_second': 150.831, 'eval_steps_per_second': 18.854, 'epoch': 29.0}
|
244 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-1856
|
245 |
+
Configuration saved in our_freesolv_model/checkpoint-1856/config.json
|
246 |
+
Model weights saved in our_freesolv_model/checkpoint-1856/pytorch_model.bin
|
247 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1792] due to args.save_total_limit
|
248 |
+
***** Running Evaluation *****
|
249 |
+
Num examples = 64
|
250 |
+
Batch size = 8
|
251 |
+
{'eval_loss': 10.856060028076172, 'eval_mse': 10.856060981750488, 'eval_rmse': 3.294853687286377, 'eval_mae': 2.1758837699890137, 'eval_runtime': 0.4294, 'eval_samples_per_second': 149.044, 'eval_steps_per_second': 18.63, 'epoch': 30.0}
|
252 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-1920
|
253 |
+
Configuration saved in our_freesolv_model/checkpoint-1920/config.json
|
254 |
+
Model weights saved in our_freesolv_model/checkpoint-1920/pytorch_model.bin
|
255 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1856] due to args.save_total_limit
|
256 |
+
***** Running Evaluation *****
|
257 |
+
Num examples = 64
|
258 |
+
Batch size = 8
|
259 |
+
{'eval_loss': 10.435661315917969, 'eval_mse': 10.435661315917969, 'eval_rmse': 3.2304275035858154, 'eval_mae': 2.1428065299987793, 'eval_runtime': 0.4438, 'eval_samples_per_second': 144.195, 'eval_steps_per_second': 18.024, 'epoch': 31.0}
|
260 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-1984
|
261 |
+
Configuration saved in our_freesolv_model/checkpoint-1984/config.json
|
262 |
+
Model weights saved in our_freesolv_model/checkpoint-1984/pytorch_model.bin
|
263 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-1920] due to args.save_total_limit
|
264 |
+
{'loss': 0.5499, 'learning_rate': 3.7500000000000005e-06, 'epoch': 31.25}
|
265 |
+
***** Running Evaluation *****
|
266 |
+
Num examples = 64
|
267 |
+
Batch size = 8
|
268 |
+
{'eval_loss': 10.568000793457031, 'eval_mse': 10.568000793457031, 'eval_rmse': 3.2508461475372314, 'eval_mae': 2.1557540893554688, 'eval_runtime': 0.4281, 'eval_samples_per_second': 149.484, 'eval_steps_per_second': 18.686, 'epoch': 32.0}
|
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Saving model checkpoint to our_freesolv_model/checkpoint-2048
|
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Configuration saved in our_freesolv_model/checkpoint-2048/config.json
|
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Model weights saved in our_freesolv_model/checkpoint-2048/pytorch_model.bin
|
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Deleting older checkpoint [our_freesolv_model/checkpoint-1984] due to args.save_total_limit
|
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+
***** Running Evaluation *****
|
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+
Num examples = 64
|
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+
Batch size = 8
|
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+
{'eval_loss': 10.61816120147705, 'eval_mse': 10.618160247802734, 'eval_rmse': 3.258551836013794, 'eval_mae': 2.1454195976257324, 'eval_runtime': 0.418, 'eval_samples_per_second': 153.1, 'eval_steps_per_second': 19.137, 'epoch': 33.0}
|
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Saving model checkpoint to our_freesolv_model/checkpoint-2112
|
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+
Configuration saved in our_freesolv_model/checkpoint-2112/config.json
|
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Model weights saved in our_freesolv_model/checkpoint-2112/pytorch_model.bin
|
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Deleting older checkpoint [our_freesolv_model/checkpoint-2048] due to args.save_total_limit
|
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+
***** Running Evaluation *****
|
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+
Num examples = 64
|
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+
Batch size = 8
|
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+
{'eval_loss': 10.70760726928711, 'eval_mse': 10.707606315612793, 'eval_rmse': 3.272247791290283, 'eval_mae': 2.185828924179077, 'eval_runtime': 0.4346, 'eval_samples_per_second': 147.25, 'eval_steps_per_second': 18.406, 'epoch': 34.0}
|
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+
Saving model checkpoint to our_freesolv_model/checkpoint-2176
|
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+
Configuration saved in our_freesolv_model/checkpoint-2176/config.json
|
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+
Model weights saved in our_freesolv_model/checkpoint-2176/pytorch_model.bin
|
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+
Deleting older checkpoint [our_freesolv_model/checkpoint-2112] due to args.save_total_limit
|
289 |
+
***** Running Evaluation *****
|
290 |
+
Num examples = 64
|
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+
Batch size = 8
|
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+
{'eval_loss': 10.65221118927002, 'eval_mse': 10.65221118927002, 'eval_rmse': 3.263772487640381, 'eval_mae': 2.1475348472595215, 'eval_runtime': 0.4365, 'eval_samples_per_second': 146.633, 'eval_steps_per_second': 18.329, 'epoch': 35.0}
|
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+
Saving model checkpoint to our_freesolv_model/checkpoint-2240
|
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+
Configuration saved in our_freesolv_model/checkpoint-2240/config.json
|
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+
Model weights saved in our_freesolv_model/checkpoint-2240/pytorch_model.bin
|
296 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-2176] due to args.save_total_limit
|
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+
***** Running Evaluation *****
|
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+
Num examples = 64
|
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+
Batch size = 8
|
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+
{'eval_loss': 10.60755443572998, 'eval_mse': 10.607553482055664, 'eval_rmse': 3.2569239139556885, 'eval_mae': 2.1597788333892822, 'eval_runtime': 0.3132, 'eval_samples_per_second': 204.312, 'eval_steps_per_second': 25.539, 'epoch': 36.0}
|
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Saving model checkpoint to our_freesolv_model/checkpoint-2304
|
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Configuration saved in our_freesolv_model/checkpoint-2304/config.json
|
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+
Model weights saved in our_freesolv_model/checkpoint-2304/pytorch_model.bin
|
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+
Deleting older checkpoint [our_freesolv_model/checkpoint-2240] due to args.save_total_limit
|
305 |
+
***** Running Evaluation *****
|
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+
Num examples = 64
|
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+
Batch size = 8
|
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+
{'eval_loss': 10.558968544006348, 'eval_mse': 10.558967590332031, 'eval_rmse': 3.2494564056396484, 'eval_mae': 2.1506295204162598, 'eval_runtime': 0.4253, 'eval_samples_per_second': 150.493, 'eval_steps_per_second': 18.812, 'epoch': 37.0}
|
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+
Saving model checkpoint to our_freesolv_model/checkpoint-2368
|
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+
Configuration saved in our_freesolv_model/checkpoint-2368/config.json
|
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+
Model weights saved in our_freesolv_model/checkpoint-2368/pytorch_model.bin
|
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+
Deleting older checkpoint [our_freesolv_model/checkpoint-2304] due to args.save_total_limit
|
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+
***** Running Evaluation *****
|
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+
Num examples = 64
|
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+
Batch size = 8
|
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+
{'eval_loss': 10.674619674682617, 'eval_mse': 10.674619674682617, 'eval_rmse': 3.2672035694122314, 'eval_mae': 2.1740453243255615, 'eval_runtime': 0.4355, 'eval_samples_per_second': 146.966, 'eval_steps_per_second': 18.371, 'epoch': 38.0}
|
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+
Saving model checkpoint to our_freesolv_model/checkpoint-2432
|
318 |
+
Configuration saved in our_freesolv_model/checkpoint-2432/config.json
|
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+
Model weights saved in our_freesolv_model/checkpoint-2432/pytorch_model.bin
|
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+
Deleting older checkpoint [our_freesolv_model/checkpoint-2368] due to args.save_total_limit
|
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+
***** Running Evaluation *****
|
322 |
+
Num examples = 64
|
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+
Batch size = 8
|
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+
{'eval_loss': 10.524478912353516, 'eval_mse': 10.5244779586792, 'eval_rmse': 3.244145154953003, 'eval_mae': 2.1458582878112793, 'eval_runtime': 0.4374, 'eval_samples_per_second': 146.309, 'eval_steps_per_second': 18.289, 'epoch': 39.0}
|
325 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-2496
|
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+
Configuration saved in our_freesolv_model/checkpoint-2496/config.json
|
327 |
+
Model weights saved in our_freesolv_model/checkpoint-2496/pytorch_model.bin
|
328 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-2432] due to args.save_total_limit
|
329 |
+
{'loss': 0.5012, 'learning_rate': 2.1875000000000002e-06, 'epoch': 39.06}
|
330 |
+
***** Running Evaluation *****
|
331 |
+
Num examples = 64
|
332 |
+
Batch size = 8
|
333 |
+
{'eval_loss': 10.667997360229492, 'eval_mse': 10.667997360229492, 'eval_rmse': 3.2661900520324707, 'eval_mae': 2.155714273452759, 'eval_runtime': 0.3418, 'eval_samples_per_second': 187.219, 'eval_steps_per_second': 23.402, 'epoch': 40.0}
|
334 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-2560
|
335 |
+
Configuration saved in our_freesolv_model/checkpoint-2560/config.json
|
336 |
+
Model weights saved in our_freesolv_model/checkpoint-2560/pytorch_model.bin
|
337 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-2496] due to args.save_total_limit
|
338 |
+
***** Running Evaluation *****
|
339 |
+
Num examples = 64
|
340 |
+
Batch size = 8
|
341 |
+
{'eval_loss': 10.641304016113281, 'eval_mse': 10.641304016113281, 'eval_rmse': 3.262101173400879, 'eval_mae': 2.174771547317505, 'eval_runtime': 0.4419, 'eval_samples_per_second': 144.834, 'eval_steps_per_second': 18.104, 'epoch': 41.0}
|
342 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-2624
|
343 |
+
Configuration saved in our_freesolv_model/checkpoint-2624/config.json
|
344 |
+
Model weights saved in our_freesolv_model/checkpoint-2624/pytorch_model.bin
|
345 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-2560] due to args.save_total_limit
|
346 |
+
***** Running Evaluation *****
|
347 |
+
Num examples = 64
|
348 |
+
Batch size = 8
|
349 |
+
{'eval_loss': 10.72380542755127, 'eval_mse': 10.723804473876953, 'eval_rmse': 3.274722099304199, 'eval_mae': 2.2047784328460693, 'eval_runtime': 0.4025, 'eval_samples_per_second': 158.999, 'eval_steps_per_second': 19.875, 'epoch': 42.0}
|
350 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-2688
|
351 |
+
Configuration saved in our_freesolv_model/checkpoint-2688/config.json
|
352 |
+
Model weights saved in our_freesolv_model/checkpoint-2688/pytorch_model.bin
|
353 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-2624] due to args.save_total_limit
|
354 |
+
***** Running Evaluation *****
|
355 |
+
Num examples = 64
|
356 |
+
Batch size = 8
|
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+
{'eval_loss': 10.794100761413574, 'eval_mse': 10.79410171508789, 'eval_rmse': 3.285437822341919, 'eval_mae': 2.212890863418579, 'eval_runtime': 0.4371, 'eval_samples_per_second': 146.435, 'eval_steps_per_second': 18.304, 'epoch': 43.0}
|
358 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-2752
|
359 |
+
Configuration saved in our_freesolv_model/checkpoint-2752/config.json
|
360 |
+
Model weights saved in our_freesolv_model/checkpoint-2752/pytorch_model.bin
|
361 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-2688] due to args.save_total_limit
|
362 |
+
***** Running Evaluation *****
|
363 |
+
Num examples = 64
|
364 |
+
Batch size = 8
|
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+
{'eval_loss': 10.679245948791504, 'eval_mse': 10.679245948791504, 'eval_rmse': 3.267911672592163, 'eval_mae': 2.199676513671875, 'eval_runtime': 0.4079, 'eval_samples_per_second': 156.894, 'eval_steps_per_second': 19.612, 'epoch': 44.0}
|
366 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-2816
|
367 |
+
Configuration saved in our_freesolv_model/checkpoint-2816/config.json
|
368 |
+
Model weights saved in our_freesolv_model/checkpoint-2816/pytorch_model.bin
|
369 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-2752] due to args.save_total_limit
|
370 |
+
***** Running Evaluation *****
|
371 |
+
Num examples = 64
|
372 |
+
Batch size = 8
|
373 |
+
{'eval_loss': 10.524163246154785, 'eval_mse': 10.524163246154785, 'eval_rmse': 3.2440967559814453, 'eval_mae': 2.1674587726593018, 'eval_runtime': 0.2984, 'eval_samples_per_second': 214.505, 'eval_steps_per_second': 26.813, 'epoch': 45.0}
|
374 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-2880
|
375 |
+
Configuration saved in our_freesolv_model/checkpoint-2880/config.json
|
376 |
+
Model weights saved in our_freesolv_model/checkpoint-2880/pytorch_model.bin
|
377 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-2816] due to args.save_total_limit
|
378 |
+
***** Running Evaluation *****
|
379 |
+
Num examples = 64
|
380 |
+
Batch size = 8
|
381 |
+
{'eval_loss': 10.532914161682129, 'eval_mse': 10.532913208007812, 'eval_rmse': 3.2454450130462646, 'eval_mae': 2.177356481552124, 'eval_runtime': 0.4463, 'eval_samples_per_second': 143.398, 'eval_steps_per_second': 17.925, 'epoch': 46.0}
|
382 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-2944
|
383 |
+
Configuration saved in our_freesolv_model/checkpoint-2944/config.json
|
384 |
+
Model weights saved in our_freesolv_model/checkpoint-2944/pytorch_model.bin
|
385 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-2880] due to args.save_total_limit
|
386 |
+
{'loss': 0.471, 'learning_rate': 6.25e-07, 'epoch': 46.88}
|
387 |
+
***** Running Evaluation *****
|
388 |
+
Num examples = 64
|
389 |
+
Batch size = 8
|
390 |
+
{'eval_loss': 10.552495002746582, 'eval_mse': 10.552494049072266, 'eval_rmse': 3.248460292816162, 'eval_mae': 2.182786464691162, 'eval_runtime': 0.3828, 'eval_samples_per_second': 167.191, 'eval_steps_per_second': 20.899, 'epoch': 47.0}
|
391 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-3008
|
392 |
+
Configuration saved in our_freesolv_model/checkpoint-3008/config.json
|
393 |
+
Model weights saved in our_freesolv_model/checkpoint-3008/pytorch_model.bin
|
394 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-2944] due to args.save_total_limit
|
395 |
+
***** Running Evaluation *****
|
396 |
+
Num examples = 64
|
397 |
+
Batch size = 8
|
398 |
+
{'eval_loss': 10.577668190002441, 'eval_mse': 10.577667236328125, 'eval_rmse': 3.2523326873779297, 'eval_mae': 2.177499294281006, 'eval_runtime': 0.4436, 'eval_samples_per_second': 144.276, 'eval_steps_per_second': 18.035, 'epoch': 48.0}
|
399 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-3072
|
400 |
+
Configuration saved in our_freesolv_model/checkpoint-3072/config.json
|
401 |
+
Model weights saved in our_freesolv_model/checkpoint-3072/pytorch_model.bin
|
402 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-3008] due to args.save_total_limit
|
403 |
+
***** Running Evaluation *****
|
404 |
+
Num examples = 64
|
405 |
+
Batch size = 8
|
406 |
+
{'eval_loss': 10.599947929382324, 'eval_mse': 10.59994888305664, 'eval_rmse': 3.255756378173828, 'eval_mae': 2.184239625930786, 'eval_runtime': 0.2975, 'eval_samples_per_second': 215.1, 'eval_steps_per_second': 26.888, 'epoch': 49.0}
|
407 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-3136
|
408 |
+
Configuration saved in our_freesolv_model/checkpoint-3136/config.json
|
409 |
+
Model weights saved in our_freesolv_model/checkpoint-3136/pytorch_model.bin
|
410 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-3072] due to args.save_total_limit
|
411 |
+
***** Running Evaluation *****
|
412 |
+
Num examples = 64
|
413 |
+
Batch size = 8
|
414 |
+
{'eval_loss': 10.600202560424805, 'eval_mse': 10.600202560424805, 'eval_rmse': 3.2557952404022217, 'eval_mae': 2.1849870681762695, 'eval_runtime': 0.4398, 'eval_samples_per_second': 145.517, 'eval_steps_per_second': 18.19, 'epoch': 50.0}
|
415 |
+
Saving model checkpoint to our_freesolv_model/checkpoint-3200
|
416 |
+
Configuration saved in our_freesolv_model/checkpoint-3200/config.json
|
417 |
+
Model weights saved in our_freesolv_model/checkpoint-3200/pytorch_model.bin
|
418 |
+
Deleting older checkpoint [our_freesolv_model/checkpoint-3136] due to args.save_total_limit
|
419 |
+
|
420 |
+
|
421 |
+
Training completed. Do not forget to share your model on huggingface.co/models =)
|
422 |
+
|
423 |
+
|
424 |
+
{'train_runtime': 665.9879, 'train_samples_per_second': 38.364, 'train_steps_per_second': 4.805, 'train_loss': 1.1251747608184814, 'epoch': 50.0}
|
425 |
+
Metrics
|
426 |
+
TrainOutput(global_step=3200, training_loss=1.1251747608184814, metrics={'train_runtime': 665.9879, 'train_samples_per_second': 38.364, 'train_steps_per_second': 4.805, 'train_loss': 1.1251747608184814, 'epoch': 50.0})
|
427 |
+
Saving model checkpoint to our_freesolv_model
|
428 |
+
Configuration saved in our_freesolv_model/config.json
|
429 |
+
Model weights saved in our_freesolv_model/pytorch_model.bin
|
430 |
+
***** Running Prediction *****
|
431 |
+
Num examples = 65
|
432 |
+
Batch size = 8
|
433 |
+
|
434 |
+
Mean Squared Error (MSE): 7.823581782801873
|
435 |
+
Root Mean Square Error (RMSE): 2.797066638963375
|
436 |
+
Mean Absolute Error (MAE): 1.7614372157431566
|
pytorch_model.bin
ADDED
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version https://git-lfs.github.com/spec/v1
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size 349077673
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runs/Apr09_13-57-51_lotan/1649512677.7022407/events.out.tfevents.1649512677.lotan.2908015.1
ADDED
@@ -0,0 +1,3 @@
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|
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version https://git-lfs.github.com/spec/v1
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oid sha256:ac8f938d01bc77d1f7575d4c25d01ccbaaa8699a8dbdb23b52b6f041f12528cc
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size 4727
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runs/Apr09_13-57-51_lotan/events.out.tfevents.1649512677.lotan.2908015.0
ADDED
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version https://git-lfs.github.com/spec/v1
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oid sha256:b9047280cec92814ce510d0a5071645f5d04ec7a3be555378dd8e64856b0ba14
|
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size 25340
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training_args.bin
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
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oid sha256:8e4f21eba4a12f4d4907a9ed935ae6f5c58aae9d1b52430bb1ad37f2bb8f99de
|
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size 2927
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