Upload folder using huggingface_hub
Browse files- README.md +94 -495
- config.json +10 -0
- pytorch_model.pt +3 -0
- test_results.json +18 -0
- tokenizer.json +2 -16
README.md
CHANGED
|
@@ -1,559 +1,158 @@
|
|
| 1 |
---
|
| 2 |
-
license: apache-2.0
|
| 3 |
language:
|
| 4 |
- en
|
|
|
|
| 5 |
tags:
|
| 6 |
- medical
|
| 7 |
- biomedical
|
| 8 |
- drug-safety
|
| 9 |
-
- adverse-drug-
|
| 10 |
- pharmacovigilance
|
| 11 |
- relation-extraction
|
| 12 |
- dual-encoder
|
| 13 |
- clinical-nlp
|
| 14 |
-
- biolinkbert
|
| 15 |
-
- entity-markers
|
| 16 |
-
- hard-negative-mining
|
| 17 |
-
- focal-loss
|
| 18 |
-
- causal-reasoning
|
| 19 |
-
- mimicause
|
| 20 |
-
- mimic
|
| 21 |
-
- clinical-notes
|
| 22 |
datasets:
|
| 23 |
-
-
|
| 24 |
-
-
|
| 25 |
metrics:
|
| 26 |
- f1
|
|
|
|
|
|
|
| 27 |
- roc_auc
|
| 28 |
pipeline_tag: text-classification
|
| 29 |
-
|
| 30 |
-
|
| 31 |
-
|
| 32 |
-
- task:
|
| 33 |
-
type: text-classification
|
| 34 |
-
name: Drug-ADR Relation Extraction
|
| 35 |
-
dataset:
|
| 36 |
-
name: ADE Corpus V2 + MIMICause
|
| 37 |
-
type: ade-benchmark-corpus/ade_corpus_v2
|
| 38 |
-
config: Ade_corpus_v2_drug_ade_relation
|
| 39 |
-
metrics:
|
| 40 |
-
- type: f1
|
| 41 |
-
value: 0.9889
|
| 42 |
-
name: F1 Score
|
| 43 |
-
- type: roc_auc
|
| 44 |
-
value: 0.9981
|
| 45 |
-
name: ROC-AUC
|
| 46 |
---
|
| 47 |
|
| 48 |
-
# CRAG
|
| 49 |
-
|
| 50 |
-
**CRAG: Causal Reasoning for Adversomics Graphs**
|
| 51 |
|
| 52 |
-
|
| 53 |
|
| 54 |
## Model Description
|
| 55 |
|
| 56 |
-
CRAG
|
| 57 |
-
|
| 58 |
-
- **
|
| 59 |
-
- **
|
| 60 |
-
- **
|
| 61 |
-
|
| 62 |
-
### Why MIMICause?
|
| 63 |
-
|
| 64 |
-
The ADE Corpus V2 provides high-quality drug-ADR pairs from MEDLINE, but clinical notes contain different linguistic patterns:
|
| 65 |
-
|
| 66 |
-
| Source | Style | Patterns |
|
| 67 |
-
|--------|-------|----------|
|
| 68 |
-
| ADE Corpus (MEDLINE) | Formal, structured | "Drug X induced condition Y" |
|
| 69 |
-
| MIMICause (MIMIC-III) | Clinical, abbreviated | "pt on X c/b Y", "Y 2/2 X" |
|
| 70 |
-
|
| 71 |
-
Training on both improves generalization to real-world clinical text.
|
| 72 |
-
|
| 73 |
-
### Architecture
|
| 74 |
-
|
| 75 |
-
Same enhanced dual-encoder architecture as CRAG-dual-encoder-ade:
|
| 76 |
-
|
| 77 |
-
```
|
| 78 |
-
┌─────────────────────────────────────────────────────────────────┐
|
| 79 |
-
│ CRAG Dual-Encoder MIMICause │
|
| 80 |
-
├─────────────────────────────────────────────────────────────────┤
|
| 81 |
-
│ │
|
| 82 |
-
│ Drug Context ADR Context │
|
| 83 |
-
│ "[DRUG] steroid [/DRUG] "[ADR] myopathy [/ADR] │
|
| 84 |
-
│ induced myopathy" from steroids" │
|
| 85 |
-
│ │ │ │
|
| 86 |
-
│ ▼ ▼ │
|
| 87 |
-
│ ┌─────────────┐ ┌─────────────┐ │
|
| 88 |
-
│ │ BioLinkBERT │ │ BioLinkBERT │ │
|
| 89 |
-
│ │ Drug │ │ ADR │ │
|
| 90 |
-
│ │ Encoder │ │ Encoder │ │
|
| 91 |
-
│ └──────┬──────┘ └──────┬──────┘ │
|
| 92 |
-
│ │ │ │
|
| 93 |
-
│ ▼ ▼ │
|
| 94 |
-
│ ┌─────────────┐ ┌─────────────┐ │
|
| 95 |
-
│ │ Attention │ │ Attention │ │
|
| 96 |
-
│ │ Pooling │ │ Pooling │ │
|
| 97 |
-
│ └──────┬──────┘ └──────┬──────┘ │
|
| 98 |
-
│ │ │ │
|
| 99 |
-
│ ▼ ▼ │
|
| 100 |
-
│ ┌─────────────┐ ┌─────────────┐ │
|
| 101 |
-
│ │ Projection │ │ Projection │ │
|
| 102 |
-
│ │ 768 → 256 │ │ 768 → 256 │ │
|
| 103 |
-
│ └──────┬──────┘ └──────┬──────┘ │
|
| 104 |
-
│ │ │ │
|
| 105 |
-
│ └──────────┬──────────────────┘ │
|
| 106 |
-
│ ▼ │
|
| 107 |
-
│ ┌──────────────┐ │
|
| 108 |
-
│ │ Bilinear │ │
|
| 109 |
-
│ │ + Concat │ │
|
| 110 |
-
│ └──────┬───────┘ │
|
| 111 |
-
│ ▼ │
|
| 112 |
-
│ ┌──────────────┐ │
|
| 113 |
-
│ │ Classifier │ │
|
| 114 |
-
│ │ 512→256→1 │ │
|
| 115 |
-
│ └──────┬───────┘ │
|
| 116 |
-
│ ▼ │
|
| 117 |
-
│ P(causal) │
|
| 118 |
-
└─────────────────────────────────────────────────────────────────┘
|
| 119 |
-
```
|
| 120 |
-
|
| 121 |
-
### Model Specifications
|
| 122 |
-
|
| 123 |
-
- **Base Model:** `michiyasunaga/BioLinkBERT-base`
|
| 124 |
-
- **Hidden Dimension:** 768
|
| 125 |
-
- **Fusion Dimension:** 256
|
| 126 |
-
- **Attention Heads:** 4
|
| 127 |
-
- **Total Parameters:** 238,667,009
|
| 128 |
-
- **Special Tokens:** `[DRUG]`, `[/DRUG]`, `[ADR]`, `[/ADR]`
|
| 129 |
-
|
| 130 |
-
## Training Data
|
| 131 |
-
|
| 132 |
-
### Combined Dataset
|
| 133 |
-
|
| 134 |
-
| Dataset | Split | Examples | Source |
|
| 135 |
-
|---------|-------|----------|--------|
|
| 136 |
-
| ADE Corpus V2 | Train | 13,642 | MEDLINE case reports |
|
| 137 |
-
| ADE Corpus V2 | Val | 2,047 | MEDLINE case reports |
|
| 138 |
-
| MIMICause | Train | 2,281 | MIMIC-III clinical notes |
|
| 139 |
-
| MIMICause | Val | 403 | MIMIC-III clinical notes |
|
| 140 |
-
| **Combined** | **Train** | **15,923** | - |
|
| 141 |
-
|
| 142 |
-
### MIMICause Label Mapping
|
| 143 |
-
|
| 144 |
-
MIMICause provides nuanced causal annotations that were mapped to binary labels:
|
| 145 |
-
|
| 146 |
-
| MIMICause Label | Mapped To | Rationale |
|
| 147 |
-
|-----------------|-----------|-----------|
|
| 148 |
-
| Cause(E1,E2) | Positive | Direct causation |
|
| 149 |
-
| Cause(E2,E1) | Positive | Direct causation (reversed) |
|
| 150 |
-
| Enable(E1,E2) | Positive | Enabling = contributing cause |
|
| 151 |
-
| Enable(E2,E1) | Positive | Enabling (reversed) |
|
| 152 |
-
| Prevent(E1,E2) | Negative | Opposite of causation |
|
| 153 |
-
| Prevent(E2,E1) | Negative | Opposite (reversed) |
|
| 154 |
-
| Hinder(E1,E2) | Negative | Partial prevention |
|
| 155 |
-
| Hinder(E2,E1) | Negative | Partial prevention (reversed) |
|
| 156 |
-
| Other | Negative | No causal relationship |
|
| 157 |
-
|
| 158 |
-
### Entity Classification in MIMICause
|
| 159 |
-
|
| 160 |
-
MIMICause annotates generic entities (E1, E2). Drug entities were identified using:
|
| 161 |
-
|
| 162 |
-
1. **Lexicon matching:** Common drug names (aspirin, morphine, etc.)
|
| 163 |
-
2. **Suffix patterns:** -ine, -ol, -mab, -pril, -statin, etc.
|
| 164 |
-
3. **Default assignment:** When ambiguous, E1 = drug, E2 = ADR
|
| 165 |
|
| 166 |
-
## Training
|
| 167 |
-
|
| 168 |
-
### Phase 1: Contrastive Pre-training (5 epochs)
|
| 169 |
-
|
| 170 |
-
```python
|
| 171 |
-
CONFIG = {
|
| 172 |
-
"temperature": 0.07,
|
| 173 |
-
"hard_negative_ratio": 0.5,
|
| 174 |
-
"batch_size": 16,
|
| 175 |
-
"gradient_accumulation_steps": 4,
|
| 176 |
-
"max_length": 256, # Longer for clinical notes
|
| 177 |
-
}
|
| 178 |
-
```
|
| 179 |
-
|
| 180 |
-
- InfoNCE loss with hard negative mining
|
| 181 |
-
- Combined ADE + MIMICause training data
|
| 182 |
-
- Learns unified embedding space for both data sources
|
| 183 |
-
|
| 184 |
-
### Phase 2: Classification Fine-tuning (8 epochs)
|
| 185 |
-
|
| 186 |
-
```python
|
| 187 |
-
CONFIG = {
|
| 188 |
-
"learning_rate": 2e-5,
|
| 189 |
-
"warmup_ratio": 0.1,
|
| 190 |
-
"layerwise_lr_decay": 0.9,
|
| 191 |
-
"focal_gamma": 2.0,
|
| 192 |
-
"focal_alpha": 0.75,
|
| 193 |
-
"weight_decay": 0.01,
|
| 194 |
-
}
|
| 195 |
-
```
|
| 196 |
|
| 197 |
-
|
| 198 |
-
-
|
| 199 |
-
-
|
| 200 |
|
| 201 |
## Performance
|
| 202 |
|
| 203 |
-
###
|
| 204 |
|
| 205 |
-
| Metric |
|
| 206 |
|--------|-------|
|
| 207 |
-
| **F1 Score** |
|
| 208 |
-
| **
|
| 209 |
-
| **
|
| 210 |
-
|
| 211 |
-
### Training Progression
|
| 212 |
-
|
| 213 |
-
| Epoch | Train Loss | Train F1 | Val F1 | Val AUC |
|
| 214 |
-
|-------|------------|----------|--------|---------|
|
| 215 |
-
| 1 | 0.1842 | 93.21% | 94.56% | 98.12% |
|
| 216 |
-
| 2 | 0.0523 | 96.34% | 97.23% | 99.34% |
|
| 217 |
-
| 4 | 0.0187 | 97.89% | 98.12% | 99.78% |
|
| 218 |
-
| 8 | 0.0059 | 98.23% | **98.89%** | **99.81%** |
|
| 219 |
-
|
| 220 |
-
### Comparison with CRAG Family
|
| 221 |
|
| 222 |
-
|
| 223 |
-
|-------|-----|-----|--------------|
|
| 224 |
-
| CRAG-dual-encoder-base | 88.3% | - | - |
|
| 225 |
-
| CRAG-dual-encoder-ade | 97.5% | 99.1% | +9.2% |
|
| 226 |
-
| **CRAG-dual-encoder-mimicause** | **98.89%** | **99.81%** | **+10.59%** |
|
| 227 |
|
| 228 |
-
|
| 229 |
-
|
| 230 |
-
|
| 231 |
-
-
|
| 232 |
-
|
| 233 |
-
|
| 234 |
-
The MIMICause data provides complementary signal through:
|
| 235 |
-
- Clinical language patterns different from MEDLINE
|
| 236 |
-
- Exposure to causal reasoning beyond simple drug-ADR pairs
|
| 237 |
-
- Real-world clinical documentation style
|
| 238 |
|
| 239 |
## Usage
|
| 240 |
|
| 241 |
-
### Loading the Model
|
| 242 |
-
|
| 243 |
```python
|
| 244 |
import torch
|
| 245 |
-
|
| 246 |
-
from transformers import AutoTokenizer, AutoModel
|
| 247 |
-
|
| 248 |
-
class AttentionPooling(nn.Module):
|
| 249 |
-
def __init__(self, hidden_dim=768, num_heads=4):
|
| 250 |
-
super().__init__()
|
| 251 |
-
self.attention = nn.MultiheadAttention(hidden_dim, num_heads, batch_first=True)
|
| 252 |
-
self.query = nn.Parameter(torch.randn(1, 1, hidden_dim))
|
| 253 |
-
|
| 254 |
-
def forward(self, hidden_states, attention_mask):
|
| 255 |
-
batch_size = hidden_states.size(0)
|
| 256 |
-
query = self.query.expand(batch_size, -1, -1)
|
| 257 |
-
key_padding_mask = ~attention_mask.bool()
|
| 258 |
-
pooled, _ = self.attention(query, hidden_states, hidden_states,
|
| 259 |
-
key_padding_mask=key_padding_mask)
|
| 260 |
-
return pooled.squeeze(1)
|
| 261 |
-
|
| 262 |
-
class CRAGDualEncoder(nn.Module):
|
| 263 |
-
def __init__(self, model_name="michiyasunaga/BioLinkBERT-base",
|
| 264 |
-
hidden_dim=768, fusion_dim=256, dropout=0.1):
|
| 265 |
-
super().__init__()
|
| 266 |
-
|
| 267 |
-
# Dual encoders
|
| 268 |
-
self.drug_encoder = AutoModel.from_pretrained(model_name)
|
| 269 |
-
self.adr_encoder = AutoModel.from_pretrained(model_name)
|
| 270 |
-
|
| 271 |
-
# Attention pooling
|
| 272 |
-
self.drug_pooler = AttentionPooling(hidden_dim)
|
| 273 |
-
self.adr_pooler = AttentionPooling(hidden_dim)
|
| 274 |
-
|
| 275 |
-
# Projection heads
|
| 276 |
-
self.drug_projection = nn.Sequential(
|
| 277 |
-
nn.Linear(hidden_dim, fusion_dim),
|
| 278 |
-
nn.LayerNorm(fusion_dim),
|
| 279 |
-
nn.GELU(),
|
| 280 |
-
nn.Dropout(dropout),
|
| 281 |
-
nn.Linear(fusion_dim, fusion_dim),
|
| 282 |
-
)
|
| 283 |
-
self.adr_projection = nn.Sequential(
|
| 284 |
-
nn.Linear(hidden_dim, fusion_dim),
|
| 285 |
-
nn.LayerNorm(fusion_dim),
|
| 286 |
-
nn.GELU(),
|
| 287 |
-
nn.Dropout(dropout),
|
| 288 |
-
nn.Linear(fusion_dim, fusion_dim),
|
| 289 |
-
)
|
| 290 |
-
|
| 291 |
-
# Fusion and classification
|
| 292 |
-
self.bilinear = nn.Bilinear(fusion_dim, fusion_dim, fusion_dim)
|
| 293 |
-
self.fusion_norm = nn.LayerNorm(fusion_dim)
|
| 294 |
-
self.classifier = nn.Sequential(
|
| 295 |
-
nn.Linear(fusion_dim * 2, fusion_dim),
|
| 296 |
-
nn.LayerNorm(fusion_dim),
|
| 297 |
-
nn.GELU(),
|
| 298 |
-
nn.Dropout(dropout),
|
| 299 |
-
nn.Linear(fusion_dim, fusion_dim // 2),
|
| 300 |
-
nn.GELU(),
|
| 301 |
-
nn.Dropout(dropout),
|
| 302 |
-
nn.Linear(fusion_dim // 2, 1),
|
| 303 |
-
)
|
| 304 |
-
|
| 305 |
-
def encode_drug(self, input_ids, attention_mask):
|
| 306 |
-
outputs = self.drug_encoder(input_ids=input_ids, attention_mask=attention_mask)
|
| 307 |
-
pooled = self.drug_pooler(outputs.last_hidden_state, attention_mask)
|
| 308 |
-
return self.drug_projection(pooled)
|
| 309 |
-
|
| 310 |
-
def encode_adr(self, input_ids, attention_mask):
|
| 311 |
-
outputs = self.adr_encoder(input_ids=input_ids, attention_mask=attention_mask)
|
| 312 |
-
pooled = self.adr_pooler(outputs.last_hidden_state, attention_mask)
|
| 313 |
-
return self.adr_projection(pooled)
|
| 314 |
-
|
| 315 |
-
def forward(self, drug_input_ids, drug_attention_mask, adr_input_ids, adr_attention_mask):
|
| 316 |
-
drug_repr = self.encode_drug(drug_input_ids, drug_attention_mask)
|
| 317 |
-
adr_repr = self.encode_adr(adr_input_ids, adr_attention_mask)
|
| 318 |
-
|
| 319 |
-
bilinear_out = self.bilinear(drug_repr, adr_repr)
|
| 320 |
-
bilinear_out = self.fusion_norm(bilinear_out)
|
| 321 |
-
combined = torch.cat([bilinear_out, drug_repr + adr_repr], dim=-1)
|
| 322 |
-
|
| 323 |
-
return self.classifier(combined)
|
| 324 |
|
| 325 |
-
# Load
|
| 326 |
-
tokenizer = AutoTokenizer.from_pretrained("
|
| 327 |
-
|
| 328 |
|
| 329 |
-
# Load
|
| 330 |
from huggingface_hub import hf_hub_download
|
| 331 |
-
|
| 332 |
-
repo_id="chrisvoncsefalvay/CRAG-dual-encoder-mimicause",
|
| 333 |
-
filename="pytorch_model.bin"
|
| 334 |
-
)
|
| 335 |
-
model.load_state_dict(torch.load(weights_path, map_location="cpu"))
|
| 336 |
-
model.eval()
|
| 337 |
-
```
|
| 338 |
|
| 339 |
-
#
|
|
|
|
|
|
|
| 340 |
|
| 341 |
-
|
| 342 |
-
|
| 343 |
-
|
| 344 |
-
|
| 345 |
-
|
| 346 |
-
Args:
|
| 347 |
-
model: Loaded CRAGDualEncoder
|
| 348 |
-
tokenizer: Loaded tokenizer
|
| 349 |
-
text: Clinical text containing both entities
|
| 350 |
-
drug: Drug entity string
|
| 351 |
-
adr: ADR entity string
|
| 352 |
-
threshold: Classification threshold (default 0.70)
|
| 353 |
-
|
| 354 |
-
Returns:
|
| 355 |
-
dict with probability and prediction
|
| 356 |
-
"""
|
| 357 |
-
# Create marked contexts
|
| 358 |
-
drug_context = text.replace(drug, f"[DRUG] {drug} [/DRUG]", 1)
|
| 359 |
-
adr_context = text.replace(adr, f"[ADR] {adr} [/ADR]", 1)
|
| 360 |
-
|
| 361 |
-
# Tokenize
|
| 362 |
-
drug_enc = tokenizer(
|
| 363 |
-
drug_context,
|
| 364 |
-
max_length=256,
|
| 365 |
-
padding="max_length",
|
| 366 |
-
truncation=True,
|
| 367 |
-
return_tensors="pt"
|
| 368 |
-
)
|
| 369 |
-
adr_enc = tokenizer(
|
| 370 |
-
adr_context,
|
| 371 |
-
max_length=256,
|
| 372 |
-
padding="max_length",
|
| 373 |
-
truncation=True,
|
| 374 |
-
return_tensors="pt"
|
| 375 |
-
)
|
| 376 |
-
|
| 377 |
-
# Predict
|
| 378 |
-
with torch.no_grad():
|
| 379 |
-
logit = model(
|
| 380 |
-
drug_enc["input_ids"],
|
| 381 |
-
drug_enc["attention_mask"],
|
| 382 |
-
adr_enc["input_ids"],
|
| 383 |
-
adr_enc["attention_mask"]
|
| 384 |
-
)
|
| 385 |
-
prob = torch.sigmoid(logit).item()
|
| 386 |
-
|
| 387 |
-
return {
|
| 388 |
-
"probability": prob,
|
| 389 |
-
"is_causal": prob >= threshold,
|
| 390 |
-
"confidence": abs(prob - 0.5) * 2 # 0 = uncertain, 1 = confident
|
| 391 |
-
}
|
| 392 |
-
|
| 393 |
-
# Example: Clinical note from MIMIC-style text
|
| 394 |
-
result = predict_causal_relationship(
|
| 395 |
-
model, tokenizer,
|
| 396 |
-
text="Steroid myopathy: Patient had a history of steroid induced myopathy and had presented with an ongoing steroid taper.",
|
| 397 |
-
drug="steroid",
|
| 398 |
-
adr="myopathy"
|
| 399 |
-
)
|
| 400 |
-
print(f"Probability: {result['probability']:.3f}")
|
| 401 |
-
print(f"Is Causal: {result['is_causal']}")
|
| 402 |
-
print(f"Confidence: {result['confidence']:.3f}")
|
| 403 |
-
# Output:
|
| 404 |
-
# Probability: 0.967
|
| 405 |
-
# Is Causal: True
|
| 406 |
-
# Confidence: 0.934
|
| 407 |
```
|
| 408 |
|
| 409 |
-
##
|
| 410 |
|
| 411 |
-
```python
|
| 412 |
-
def batch_predict(model, tokenizer, pairs, batch_size=32):
|
| 413 |
-
"""
|
| 414 |
-
Predict for multiple drug-ADR pairs efficiently.
|
| 415 |
-
|
| 416 |
-
Args:
|
| 417 |
-
pairs: List of (text, drug, adr) tuples
|
| 418 |
-
|
| 419 |
-
Returns:
|
| 420 |
-
List of probability scores
|
| 421 |
-
"""
|
| 422 |
-
results = []
|
| 423 |
-
|
| 424 |
-
for i in range(0, len(pairs), batch_size):
|
| 425 |
-
batch = pairs[i:i+batch_size]
|
| 426 |
-
|
| 427 |
-
drug_texts = [p[0].replace(p[1], f"[DRUG] {p[1]} [/DRUG]", 1) for p in batch]
|
| 428 |
-
adr_texts = [p[0].replace(p[2], f"[ADR] {p[2]} [/ADR]", 1) for p in batch]
|
| 429 |
-
|
| 430 |
-
drug_enc = tokenizer(drug_texts, max_length=256, padding=True,
|
| 431 |
-
truncation=True, return_tensors="pt")
|
| 432 |
-
adr_enc = tokenizer(adr_texts, max_length=256, padding=True,
|
| 433 |
-
truncation=True, return_tensors="pt")
|
| 434 |
-
|
| 435 |
-
with torch.no_grad():
|
| 436 |
-
logits = model(
|
| 437 |
-
drug_enc["input_ids"],
|
| 438 |
-
drug_enc["attention_mask"],
|
| 439 |
-
adr_enc["input_ids"],
|
| 440 |
-
adr_enc["attention_mask"]
|
| 441 |
-
)
|
| 442 |
-
probs = torch.sigmoid(logits).squeeze(-1).tolist()
|
| 443 |
-
results.extend(probs)
|
| 444 |
-
|
| 445 |
-
return results
|
| 446 |
```
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 447 |
|
| 448 |
-
|
|
|
|
| 449 |
|
| 450 |
-
##
|
| 451 |
|
| 452 |
-
|
| 453 |
-
|
| 454 |
-
|
| 455 |
-
- Supporting adverse event reporting (FAERS, EudraVigilance)
|
| 456 |
|
| 457 |
-
|
| 458 |
-
|
| 459 |
-
|
| 460 |
-
|
|
|
|
| 461 |
|
| 462 |
-
|
| 463 |
-
- Systematic review automation
|
| 464 |
-
- Case report screening
|
| 465 |
-
- Meta-analysis support
|
| 466 |
|
| 467 |
-
|
| 468 |
-
|
| 469 |
-
|
| 470 |
-
|
|
|
|
|
|
|
|
|
|
| 471 |
|
| 472 |
-
##
|
| 473 |
|
| 474 |
-
|
| 475 |
-
|
| 476 |
-
| High-sensitivity screening | 0.50 | 95.1% | 99.2% | 97.1% |
|
| 477 |
-
| Balanced (default) | 0.70 | 98.5% | 98.9% | 98.7% |
|
| 478 |
-
| High-precision extraction | 0.85 | 99.5% | 96.8% | 98.1% |
|
| 479 |
|
| 480 |
## Limitations
|
| 481 |
|
| 482 |
-
|
| 483 |
-
|
| 484 |
-
|
| 485 |
-
|
| 486 |
-
- ADE Corpus: MEDLINE case reports
|
| 487 |
-
- MIMICause: US ICU clinical notes (MIMIC-III)
|
| 488 |
-
- May not generalize to other clinical settings or countries
|
| 489 |
-
5. **Temporal Reasoning:** Does not explicitly model temporal relationships
|
| 490 |
-
|
| 491 |
-
## Ethical Considerations
|
| 492 |
-
|
| 493 |
-
### Clinical Deployment
|
| 494 |
-
|
| 495 |
-
- **Human-in-the-Loop:** Always require expert review for clinical decisions
|
| 496 |
-
- **Confidence Communication:** Surface probability scores, not just binary predictions
|
| 497 |
-
- **Error Analysis:** Monitor for systematic biases in drug or ADR categories
|
| 498 |
-
|
| 499 |
-
### Bias Considerations
|
| 500 |
-
|
| 501 |
-
- Training data reflects US clinical practice and MEDLINE publication patterns
|
| 502 |
-
- Common drugs/ADRs better represented than rare ones
|
| 503 |
-
- May underperform on pediatric, geriatric, or specialty populations
|
| 504 |
-
|
| 505 |
-
### Privacy
|
| 506 |
-
|
| 507 |
-
- Model does not retain patient information
|
| 508 |
-
- MIMICause derived from de-identified MIMIC-III data
|
| 509 |
-
- No personal health information in model weights
|
| 510 |
-
|
| 511 |
-
## Technical Specifications
|
| 512 |
-
|
| 513 |
-
| Specification | Value |
|
| 514 |
-
|---------------|-------|
|
| 515 |
-
| Framework | PyTorch 2.0+ |
|
| 516 |
-
| Base Model | BioLinkBERT-base |
|
| 517 |
-
| Model Size | 955 MB |
|
| 518 |
-
| Vocabulary Size | 30,522 + 4 special tokens |
|
| 519 |
-
| Max Sequence Length | 256 tokens |
|
| 520 |
-
| Inference Speed (GPU) | ~85 pairs/second |
|
| 521 |
-
| Inference Speed (CPU) | ~5 pairs/second |
|
| 522 |
-
| GPU Memory (inference) | ~2 GB |
|
| 523 |
-
| Training Hardware | NVIDIA A10G |
|
| 524 |
-
| Training Time | ~90 minutes |
|
| 525 |
|
| 526 |
## Citation
|
| 527 |
|
|
|
|
|
|
|
| 528 |
```bibtex
|
| 529 |
-
@misc{
|
| 530 |
-
|
| 531 |
-
|
| 532 |
-
year={2024},
|
| 533 |
-
publisher={Hugging Face},
|
| 534 |
-
|
| 535 |
}
|
| 536 |
```
|
| 537 |
|
| 538 |
-
##
|
| 539 |
-
|
| 540 |
-
- Gurulingappa, H., et al. (2012). Development of a benchmark corpus to support the automatic extraction of drug-related adverse effects from medical case reports. *Journal of Biomedical Informatics*.
|
| 541 |
-
- Yasunaga, M., et al. (2022). LinkBERT: Pretraining Language Models with Document Links. *ACL*.
|
| 542 |
-
- Khetan, V., et al. (2022). MIMICause: Representation and automatic extraction of causal relation types from clinical notes. *ACL Findings*.
|
| 543 |
-
- Johnson, A.E.W., et al. (2016). MIMIC-III, a freely accessible critical care database. *Scientific Data*.
|
| 544 |
-
|
| 545 |
-
## Related Models
|
| 546 |
-
|
| 547 |
-
- [CRAG-dual-encoder-base](https://huggingface.co/chrisvoncsefalvay/CRAG-dual-encoder-base) - Baseline PubMedBERT model
|
| 548 |
-
- [CRAG-dual-encoder-ade](https://huggingface.co/chrisvoncsefalvay/CRAG-dual-encoder-ade) - Enhanced ADE-only model
|
| 549 |
-
|
| 550 |
-
## Model Card Authors
|
| 551 |
-
|
| 552 |
-
Chris von Csefalvay ([@chrisvoncsefalvay](https://huggingface.co/chrisvoncsefalvay))
|
| 553 |
-
|
| 554 |
-
## Model Card Contact
|
| 555 |
|
| 556 |
-
|
| 557 |
-
- Open a discussion on this model's repository
|
| 558 |
-
- Email: [email protected]
|
| 559 |
-
- GitHub: [@chrisvoncsefalvay](https://github.com/chrisvoncsefalvay)
|
|
|
|
| 1 |
---
|
|
|
|
| 2 |
language:
|
| 3 |
- en
|
| 4 |
+
license: apache-2.0
|
| 5 |
tags:
|
| 6 |
- medical
|
| 7 |
- biomedical
|
| 8 |
- drug-safety
|
| 9 |
+
- adverse-drug-events
|
| 10 |
- pharmacovigilance
|
| 11 |
- relation-extraction
|
| 12 |
- dual-encoder
|
| 13 |
- clinical-nlp
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 14 |
datasets:
|
| 15 |
+
- ade_corpus_v2
|
| 16 |
+
- mimicause
|
| 17 |
metrics:
|
| 18 |
- f1
|
| 19 |
+
- precision
|
| 20 |
+
- recall
|
| 21 |
- roc_auc
|
| 22 |
pipeline_tag: text-classification
|
| 23 |
+
library_name: pytorch
|
| 24 |
+
base_model:
|
| 25 |
+
- michiyasunaga/BioLinkBERT-base
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 26 |
---
|
| 27 |
|
| 28 |
+
# CRAG: Causal Reasoning for Adversomics Graphs
|
|
|
|
|
|
|
| 29 |
|
| 30 |
+
**CRAG** (Causal Reasoning for Adversomics Graphs) is a dual-encoder model for extracting adverse drug event (ADE) relationships from clinical narratives. It achieves state-of-the-art performance on ADE extraction, significantly outperforming both specialized biomedical language models and large language models.
|
| 31 |
|
| 32 |
## Model Description
|
| 33 |
|
| 34 |
+
CRAG uses a dual-encoder architecture with:
|
| 35 |
+
- **Two separate BioLinkBERT encoders**: One for drug mentions, one for adverse event mentions
|
| 36 |
+
- **Attention pooling**: Multi-head attention mechanism for sequence representation
|
| 37 |
+
- **Bilinear fusion**: Captures complex drug-ADR interactions
|
| 38 |
+
- **Multi-view concatenation**: Combines bilinear output, individual embeddings, and element-wise products
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 39 |
|
| 40 |
+
### Training Approach
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 41 |
|
| 42 |
+
The model is trained in two phases:
|
| 43 |
+
1. **Phase 1 - Contrastive Pre-training**: InfoNCE loss with hard negative mining to learn discriminative drug-ADR embeddings
|
| 44 |
+
2. **Phase 2 - Classification Fine-tuning**: Focal loss to handle class imbalance and refine the classifier
|
| 45 |
|
| 46 |
## Performance
|
| 47 |
|
| 48 |
+
### Test Set Results
|
| 49 |
|
| 50 |
+
| Metric | Score |
|
| 51 |
|--------|-------|
|
| 52 |
+
| **F1 Score** | 0.9332 |
|
| 53 |
+
| **Precision** | 0.9075 |
|
| 54 |
+
| **Recall** | 0.9603 |
|
| 55 |
+
| **AUC-ROC** | 0.9765 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 56 |
|
| 57 |
+
### Comparison with Baselines
|
|
|
|
|
|
|
|
|
|
|
|
|
| 58 |
|
| 59 |
+
| Model | F1 Score | AUC-ROC | F1 Improvement |
|
| 60 |
+
|-------|----------|---------|----------------|
|
| 61 |
+
| BioLinkBERT (zero-shot) | 0.215 | 0.523 | - |
|
| 62 |
+
| GPT-4 Turbo | 0.734 | 0.713 | - |
|
| 63 |
+
| Qwen2.5-1.5B-Instruct | 0.714 | 0.728 | - |
|
| 64 |
+
| **CRAG (this model)** | **0.933** | **0.977** | **+27% vs GPT-4** |
|
|
|
|
|
|
|
|
|
|
|
|
|
| 65 |
|
| 66 |
## Usage
|
| 67 |
|
|
|
|
|
|
|
| 68 |
```python
|
| 69 |
import torch
|
| 70 |
+
from transformers import AutoTokenizer
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 71 |
|
| 72 |
+
# Load tokenizer
|
| 73 |
+
tokenizer = AutoTokenizer.from_pretrained("michiyasunaga/BioLinkBERT-base")
|
| 74 |
+
tokenizer.add_special_tokens({'additional_special_tokens': ['[DRUG]', '[/DRUG]', '[ADR]', '[/ADR]']})
|
| 75 |
|
| 76 |
+
# Load model
|
| 77 |
from huggingface_hub import hf_hub_download
|
| 78 |
+
import torch
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 79 |
|
| 80 |
+
# Download and load the model
|
| 81 |
+
model_path = hf_hub_download(repo_id="chrisvoncsefalvay/CRAG-dual-encoder-mimicause", filename="pytorch_model.pt")
|
| 82 |
+
checkpoint = torch.load(model_path, map_location='cpu')
|
| 83 |
|
| 84 |
+
# For inference, see the example notebook in the repository
|
| 85 |
+
|
| 86 |
+
# Example input format:
|
| 87 |
+
drug_context = "The patient developed [DRUG] aspirin [/DRUG] induced gastric bleeding."
|
| 88 |
+
adr_context = "The patient developed aspirin induced [ADR] gastric bleeding [/ADR]."
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 89 |
```
|
| 90 |
|
| 91 |
+
## Model Architecture
|
| 92 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 93 |
```
|
| 94 |
+
CRAGDualEncoder(
|
| 95 |
+
(drug_encoder): BioLinkBERT-base (110M params)
|
| 96 |
+
(adr_encoder): BioLinkBERT-base (110M params)
|
| 97 |
+
(drug_pooler): AttentionPooling (4 heads)
|
| 98 |
+
(adr_pooler): AttentionPooling (4 heads)
|
| 99 |
+
(drug_projection): Linear(768 -> 256) + LayerNorm + GELU + Linear
|
| 100 |
+
(adr_projection): Linear(768 -> 256) + LayerNorm + GELU + Linear
|
| 101 |
+
(bilinear): Bilinear(256, 256 -> 256)
|
| 102 |
+
(classifier): Linear(1024 -> 256) + LayerNorm + GELU + Linear(256 -> 128) + GELU + Linear(128 -> 1)
|
| 103 |
+
)
|
| 104 |
|
| 105 |
+
Total Parameters: 238,798,081
|
| 106 |
+
```
|
| 107 |
|
| 108 |
+
## Training Data
|
| 109 |
|
| 110 |
+
The model was trained on a combination of:
|
| 111 |
+
- **ADE Corpus v2**: Biomedical literature annotations for drug-adverse event pairs
|
| 112 |
+
- **MIMICause**: Clinical notes from MIMIC-III with causal ADE annotations
|
|
|
|
| 113 |
|
| 114 |
+
| Split | Samples | Positive | Negative |
|
| 115 |
+
|-------|---------|----------|----------|
|
| 116 |
+
| Train | 12,978 | 6,264 | 6,714 |
|
| 117 |
+
| Validation | 1,667 | 812 | 855 |
|
| 118 |
+
| Test | 1,681 | 807 | 874 |
|
| 119 |
|
| 120 |
+
## Training Configuration
|
|
|
|
|
|
|
|
|
|
| 121 |
|
| 122 |
+
| Parameter | Phase 1 (Contrastive) | Phase 2 (Classification) |
|
| 123 |
+
|-----------|----------------------|--------------------------|
|
| 124 |
+
| Epochs | 5 | 8 |
|
| 125 |
+
| Batch Size | 16 | 16 |
|
| 126 |
+
| Learning Rate | 2e-5 | 2e-5 |
|
| 127 |
+
| Loss Function | InfoNCE (τ=0.07) | Focal (γ=2.0, α=0.75) |
|
| 128 |
+
| Hard Negatives | 50% | - |
|
| 129 |
|
| 130 |
+
## Experiment Tracking
|
| 131 |
|
| 132 |
+
- **WandB Run**: [68d4wq4u](https://wandb.ai/chrisvoncsefalvay/crag-experiments/runs/68d4wq4u)
|
| 133 |
+
- **Dataset Artifacts**: [HuggingFace Dataset](https://huggingface.co/datasets/chrisvoncsefalvay/crag-experiment-artifacts)
|
|
|
|
|
|
|
|
|
|
| 134 |
|
| 135 |
## Limitations
|
| 136 |
|
| 137 |
+
- Trained primarily on English clinical and biomedical text
|
| 138 |
+
- Requires drug and ADR spans to be pre-identified (not an end-to-end NER+RE model)
|
| 139 |
+
- Performance may vary on drug/ADR pairs not seen during training
|
| 140 |
+
- Best suited for binary relation classification, not relation type classification
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 141 |
|
| 142 |
## Citation
|
| 143 |
|
| 144 |
+
If you use this model, please cite:
|
| 145 |
+
|
| 146 |
```bibtex
|
| 147 |
+
@misc{crag2024,
|
| 148 |
+
author = {von Csefalvay, Chris},
|
| 149 |
+
title = {CRAG: Causal Reasoning for Adversomics Graphs},
|
| 150 |
+
year = {2024},
|
| 151 |
+
publisher = {Hugging Face},
|
| 152 |
+
howpublished = {\url{https://huggingface.co/chrisvoncsefalvay/CRAG-dual-encoder-mimicause}}
|
| 153 |
}
|
| 154 |
```
|
| 155 |
|
| 156 |
+
## License
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 157 |
|
| 158 |
+
Apache 2.0
|
|
|
|
|
|
|
|
|
config.json
ADDED
|
@@ -0,0 +1,10 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"model": {
|
| 3 |
+
"base_model": "michiyasunaga/BioLinkBERT-base",
|
| 4 |
+
"hidden_dim": 768,
|
| 5 |
+
"fusion_dim": 256,
|
| 6 |
+
"dropout": 0.1,
|
| 7 |
+
"pooling": "attention",
|
| 8 |
+
"attention_heads": 4
|
| 9 |
+
}
|
| 10 |
+
}
|
pytorch_model.pt
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:38572981c02b8494a10a530410b836f3228484726ed3d9fb0cbeae13b6b492ad
|
| 3 |
+
size 955369379
|
test_results.json
ADDED
|
@@ -0,0 +1,18 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"f1": 0.9331727874774233,
|
| 3 |
+
"precision": 0.9074941451990632,
|
| 4 |
+
"recall": 0.9603469640644362,
|
| 5 |
+
"auc": 0.9765410779251344,
|
| 6 |
+
"confusion_matrix": [
|
| 7 |
+
[
|
| 8 |
+
795,
|
| 9 |
+
79
|
| 10 |
+
],
|
| 11 |
+
[
|
| 12 |
+
32,
|
| 13 |
+
775
|
| 14 |
+
]
|
| 15 |
+
],
|
| 16 |
+
"num_samples": 1681,
|
| 17 |
+
"num_positive": 807
|
| 18 |
+
}
|
tokenizer.json
CHANGED
|
@@ -1,21 +1,7 @@
|
|
| 1 |
{
|
| 2 |
"version": "1.0",
|
| 3 |
-
"truncation":
|
| 4 |
-
|
| 5 |
-
"max_length": 256,
|
| 6 |
-
"strategy": "LongestFirst",
|
| 7 |
-
"stride": 0
|
| 8 |
-
},
|
| 9 |
-
"padding": {
|
| 10 |
-
"strategy": {
|
| 11 |
-
"Fixed": 256
|
| 12 |
-
},
|
| 13 |
-
"direction": "Right",
|
| 14 |
-
"pad_to_multiple_of": null,
|
| 15 |
-
"pad_id": 0,
|
| 16 |
-
"pad_type_id": 0,
|
| 17 |
-
"pad_token": "[PAD]"
|
| 18 |
-
},
|
| 19 |
"added_tokens": [
|
| 20 |
{
|
| 21 |
"id": 0,
|
|
|
|
| 1 |
{
|
| 2 |
"version": "1.0",
|
| 3 |
+
"truncation": null,
|
| 4 |
+
"padding": null,
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 5 |
"added_tokens": [
|
| 6 |
{
|
| 7 |
"id": 0,
|