File size: 3,338 Bytes
f8f21e1
69f94ab
 
 
 
 
f8f21e1
69f94ab
2c103fd
69f94ab
 
f8f21e1
69f94ab
 
 
 
 
2c103fd
69f94ab
 
 
 
 
 
 
 
 
 
 
 
 
 
28045b8
69f94ab
 
 
 
 
 
 
 
 
 
 
 
2c103fd
69f94ab
 
 
 
 
 
 
 
 
2c103fd
69f94ab
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
---

language: 
- english
thumbnail: 
tags:
- token classification
license: agpl-3.0
datasets:
- EMBO/sd-nlp
metrics:
-
---


# sd-smallmol-roles

## Model description

This model is a [RoBERTa base model](https://huggingface.co/roberta-base) that was further trained using a masked language modeling task on a compendium of english scientific textual examples from the life sciences using the [BioLang dataset](https://huggingface.co/datasets/EMBO/biolang). It has then been fine-tuned for token classification on the SourceData [sd-nlp](https://huggingface.co/datasets/EMBO/sd-nlp) dataset with the `SMALL_MOL_ROLES` configuration to perform pure context-dependent semantic role classification of bioentities.


## Intended uses & limitations

#### How to use

The intended use of this model is to infer the semantic role of small molecules with regard to the causal hypotheses tested in experiments reported in scientific papers. 

To have a quick check of the model:

```python

from transformers import pipeline, RobertaTokenizerFast, RobertaForTokenClassification

example = """<s>The <mask> overexpression in cells caused an increase in <mask> expression.</s>"""

tokenizer = RobertaTokenizerFast.from_pretrained('roberta-base', max_len=512)

model = RobertaForTokenClassification.from_pretrained('EMBO/sd-smallmol-roles')

ner = pipeline('ner', model, tokenizer=tokenizer)

res = ner(example)

for r in res:

    print(r['word'], r['entity'])

```

#### Limitations and bias

The model must be used with the `roberta-base` tokenizer.

## Training data

The model was trained for token classification using the [EMBO/sd-nlp dataset](https://huggingface.co/datasets/EMBO/sd-nlp) which includes manually annotated examples.

## Training procedure

The training was run on a NVIDIA DGX Station with 4XTesla V100 GPUs.

Training code is available at https://github.com/source-data/soda-roberta

- Model fine tuned: EMBL/bio-lm
- Tokenizer vocab size: 50265
- Training data: EMBO/sd-nlp
- Dataset configuration: SMALL_MOL_ROLES
- Training with 48771 examples.
- Evaluating on 13801 examples.
- Training on 15 features: O, I-CONTROLLED_VAR, B-CONTROLLED_VAR, I-MEASURED_VAR, B-MEASURED_VAR
- Epochs: 0.33
- `per_device_train_batch_size`: 16
- `per_device_eval_batch_size`: 16
- `learning_rate`: 0.0001
- `weight_decay`: 0.0
- `adam_beta1`: 0.9
- `adam_beta2`: 0.999
- `adam_epsilon`: 1e-08
- `max_grad_norm`: 1.0

## Eval results

On 7178 example of test set with `sklearn.metrics`:

```                                                                                                                                                           

                precision    recall  f1-score   support



CONTROLLED_VAR       0.76      0.90      0.83      2946

  MEASURED_VAR       0.60      0.71      0.65       852



     micro avg       0.73      0.86      0.79      3798

     macro avg       0.68      0.80      0.74      3798

  weighted avg       0.73      0.86      0.79      3798



{'test_loss': 0.011743436567485332, 'test_accuracy_score': 0.9951612532624371, 'test_precision': 0.7261345852895149, 'test_recall': 0.8551869404949973, 'test_f1': 0.7853947527505744, 'test_runtime': 58.0378, 'test_samples_per_second': 123.678, 'test_steps_per_second': 1.947}

```