Upload train_milk10k_effb2_dual_metadata.py
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train_milk10k_effb2_dual_metadata.py
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#!/usr/bin/env python3
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"""Train a MILK10k dual EfficientNet-B2 classifier with metadata fusion.
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It treats clinical and dermoscopic encoders as different feature spaces:
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each branch gets its own projection head, tabular metadata gets its own head,
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and classification uses the concatenated branch representations.
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"""
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from __future__ import annotations
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import argparse
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import json
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from pathlib import Path
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from typing import Any
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import numpy as np
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import pandas as pd
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import timm
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import torch
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from PIL import Image, ImageFile
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from sklearn.metrics import (
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accuracy_score,
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balanced_accuracy_score,
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classification_report,
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confusion_matrix,
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precision_recall_fscore_support,
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roc_auc_score,
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)
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from sklearn.model_selection import train_test_split
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from sklearn.preprocessing import label_binarize
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from sklearn.utils.class_weight import compute_class_weight
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from torch import nn
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from torch.amp import GradScaler, autocast
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from torch.utils.data import DataLoader, Dataset
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from torchvision import transforms
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from torchvision.models import EfficientNet_B2_Weights, efficientnet_b2
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from tqdm.auto import tqdm
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from datasets import LABEL_COLUMNS, normalize_image_type, resolve_data_dir, set_seed
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ImageFile.LOAD_TRUNCATED_IMAGES = True
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METADATA_COLUMNS = ("age_approx", "sex", "skin_tone_class", "site")
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CHECKPOINT_STATE_KEYS = ("model_state", "model_state_dict", "state_dict")
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PREFIXES_TO_STRIP = ("module.", "model.", "_orig_mod.")
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class PairedMilk10kMetadataDataset(Dataset):
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def __init__(
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self,
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df: pd.DataFrame,
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label_to_idx: dict[str, int],
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metadata_spec: dict[str, Any],
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transform=None,
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) -> None:
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self.df = df.reset_index(drop=True)
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self.labels = [label_to_idx[label] for label in self.df["label"].tolist()]
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self.metadata = np.stack([metadata_vector(row, metadata_spec) for _, row in self.df.iterrows()])
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self.transform = transform
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def __len__(self) -> int:
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return len(self.df)
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def _load_image(self, path: str) -> torch.Tensor:
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with Image.open(path) as img:
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image = img.convert("RGB")
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if self.transform is not None:
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image = self.transform(image)
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return image
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def __getitem__(self, idx: int) -> dict[str, torch.Tensor]:
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row = self.df.iloc[idx]
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return {
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"clinical": self._load_image(row["clinical_path"]),
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"dermoscopic": self._load_image(row["dermoscopic_path"]),
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"metadata": torch.from_numpy(self.metadata[idx]),
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"label": torch.tensor(self.labels[idx], dtype=torch.long),
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}
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class ProjectionHead(nn.Module):
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def __init__(self, in_dim: int, out_dim: int, dropout: float) -> None:
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super().__init__()
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self.net = nn.Sequential(
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nn.LayerNorm(in_dim),
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nn.Dropout(dropout),
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nn.Linear(in_dim, out_dim),
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nn.GELU(),
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nn.LayerNorm(out_dim),
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)
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def forward(self, x: torch.Tensor) -> torch.Tensor:
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return self.net(x)
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class MetadataHead(nn.Module):
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def __init__(self, in_dim: int, out_dim: int, dropout: float) -> None:
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super().__init__()
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hidden_dim = max(out_dim * 2, 32)
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self.net = nn.Sequential(
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nn.LayerNorm(in_dim),
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nn.Linear(in_dim, hidden_dim),
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nn.GELU(),
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nn.Dropout(dropout),
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nn.Linear(hidden_dim, out_dim),
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nn.GELU(),
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nn.LayerNorm(out_dim),
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)
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def forward(self, metadata: torch.Tensor) -> torch.Tensor:
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return self.net(metadata)
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class DualEffB2MetadataClassifier(nn.Module):
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def __init__(
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self,
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num_classes: int,
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metadata_input_dim: int,
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branch_dim: int,
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metadata_dim: int,
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classifier_hidden_dim: int,
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dropout: float,
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imagenet_pretrained: bool,
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clinical_backbone_backend: str,
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dermoscopic_backbone_backend: str,
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) -> None:
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super().__init__()
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self.clinical_backbone_backend = clinical_backbone_backend
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self.dermoscopic_backbone_backend = dermoscopic_backbone_backend
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self.clinical_encoder, clinical_feature_dim = build_effb2_feature_encoder(
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clinical_backbone_backend,
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imagenet_pretrained,
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)
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self.dermoscopic_encoder, dermoscopic_feature_dim = build_effb2_feature_encoder(
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dermoscopic_backbone_backend,
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imagenet_pretrained,
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)
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self.clinical_head = ProjectionHead(clinical_feature_dim, branch_dim, dropout)
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self.dermoscopic_head = ProjectionHead(dermoscopic_feature_dim, branch_dim, dropout)
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self.metadata_head = MetadataHead(metadata_input_dim, metadata_dim, dropout)
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fused_dim = branch_dim * 2 + metadata_dim
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self.classifier = nn.Sequential(
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nn.LayerNorm(fused_dim),
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nn.Dropout(dropout),
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nn.Linear(fused_dim, classifier_hidden_dim),
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nn.GELU(),
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nn.Dropout(dropout),
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nn.Linear(classifier_hidden_dim, num_classes),
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)
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def forward(
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self,
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clinical: torch.Tensor,
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dermoscopic: torch.Tensor,
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metadata: torch.Tensor,
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) -> torch.Tensor:
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clinical_features = self.clinical_encoder(clinical)
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dermoscopic_features = self.dermoscopic_encoder(dermoscopic)
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clinical_repr = self.clinical_head(clinical_features)
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dermoscopic_repr = self.dermoscopic_head(dermoscopic_features)
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metadata_repr = self.metadata_head(metadata)
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fused = torch.cat([clinical_repr, dermoscopic_repr, metadata_repr], dim=1)
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return self.classifier(fused)
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def parse_args() -> argparse.Namespace:
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parser = argparse.ArgumentParser(description="Train MILK10k dual EfficientNet-B2 with metadata fusion.")
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parser.add_argument("--data-dir", type=Path, default=None)
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parser.add_argument("--clinical-checkpoint", type=Path, required=True)
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parser.add_argument("--dermoscopic-checkpoint", type=Path, required=True)
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parser.add_argument("--output-dir", type=Path, default=Path("milk10k_dual_effb2_metadata_runs"))
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parser.add_argument("--freeze-epochs", type=int, default=8)
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parser.add_argument("--finetune-epochs", type=int, default=20)
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parser.add_argument("--batch-size", type=int, default=8)
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parser.add_argument("--image-size", type=int, default=260)
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parser.add_argument(
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"--num-workers",
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type=int,
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default=0,
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help="DataLoader workers. Keep 0 in small Docker/Marimo containers to avoid /dev/shm exhaustion.",
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)
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parser.add_argument("--head-lr", type=float, default=1e-4)
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parser.add_argument("--encoder-lr", type=float, default=1e-5)
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parser.add_argument("--weight-decay", type=float, default=1e-4)
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parser.add_argument("--val-size", type=float, default=0.20)
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parser.add_argument("--seed", type=int, default=42)
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parser.add_argument("--branch-dim", type=int, default=512)
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parser.add_argument("--metadata-dim", type=int, default=64)
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parser.add_argument("--classifier-hidden-dim", type=int, default=512)
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parser.add_argument("--dropout", type=float, default=0.3)
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parser.add_argument("--class-weight", action="store_true")
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parser.add_argument("--amp", action="store_true")
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parser.add_argument(
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"--backbone-backend",
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choices=["auto", "timm", "torchvision"],
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default="auto",
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help="Backbone implementation used by checkpoints. auto detects timm vs torchvision from checkpoint keys.",
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)
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parser.add_argument(
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"--imagenet-pretrained",
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action="store_true",
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help="Initialize EfficientNet-B2 with ImageNet weights before loading branch checkpoints.",
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)
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parser.add_argument("--patience", type=int, default=6)
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return parser.parse_args()
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def build_effb2_feature_encoder(backbone_backend: str, imagenet_pretrained: bool) -> tuple[nn.Module, int]:
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if backbone_backend == "timm":
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model = timm.create_model(
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"efficientnet_b2",
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pretrained=imagenet_pretrained,
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num_classes=0,
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global_pool="avg",
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)
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return model, int(model.num_features)
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if backbone_backend == "torchvision":
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weights = EfficientNet_B2_Weights.IMAGENET1K_V1 if imagenet_pretrained else None
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model = efficientnet_b2(weights=weights)
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feature_dim = int(model.classifier[1].in_features)
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model.classifier = nn.Identity()
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return model, feature_dim
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raise ValueError(f"Unsupported backbone backend: {backbone_backend}")
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def load_paired_dataframe(data_dir: Path) -> pd.DataFrame:
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input_dir = data_dir / "MILK10k_Training_Input"
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gt = pd.read_csv(data_dir / "MILK10k_Training_GroundTruth.csv")
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meta = pd.read_csv(data_dir / "MILK10k_Training_Metadata.csv")
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gt["label"] = gt[LABEL_COLUMNS].idxmax(axis=1)
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meta["image_type_norm"] = meta["image_type"].map(normalize_image_type)
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meta["path"] = meta.apply(lambda r: input_dir / r["lesion_id"] / f"{r['isic_id']}.jpg", axis=1)
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meta = meta[meta["path"].map(lambda p: p.exists())].copy()
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meta["path"] = meta["path"].map(str)
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keep = ["lesion_id", "path", *METADATA_COLUMNS]
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clinical = meta[meta["image_type_norm"] == "clinical_close_up"][keep].drop_duplicates("lesion_id")
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dermoscopic = meta[meta["image_type_norm"] == "dermoscopic"][keep].drop_duplicates("lesion_id")
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paired = (
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gt[["lesion_id", "label"]]
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.merge(clinical.add_prefix("clinical_"), left_on="lesion_id", right_on="clinical_lesion_id")
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.merge(dermoscopic.add_prefix("dermoscopic_"), left_on="lesion_id", right_on="dermoscopic_lesion_id")
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.drop(columns=["clinical_lesion_id", "dermoscopic_lesion_id"])
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)
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if paired.empty:
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raise ValueError(f"No paired clinical/dermoscopic lesions found under {input_dir}")
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return paired
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def lesion_split(df: pd.DataFrame, val_size: float, seed: int) -> tuple[pd.DataFrame, pd.DataFrame]:
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lesion_df = df[["lesion_id", "label"]].drop_duplicates("lesion_id")
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train_lesions, val_lesions = train_test_split(
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lesion_df,
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test_size=val_size,
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stratify=lesion_df["label"],
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random_state=seed,
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)
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return (
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df[df["lesion_id"].isin(train_lesions["lesion_id"])].copy(),
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df[df["lesion_id"].isin(val_lesions["lesion_id"])].copy(),
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)
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def fit_metadata_spec(train_df: pd.DataFrame) -> dict[str, Any]:
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sex_values = sorted({"unknown"} | collect_string_values(train_df, "sex"))
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site_values = sorted({"unknown"} | collect_string_values(train_df, "site"))
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return {"sex_values": sex_values, "site_values": site_values}
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def collect_string_values(df: pd.DataFrame, field: str) -> set[str]:
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values: set[str] = set()
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for prefix in ("clinical", "dermoscopic"):
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series = df[f"{prefix}_{field}"].fillna("unknown").astype(str).str.strip()
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values.update(value if value else "unknown" for value in series.tolist())
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return values
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def metadata_vector(row: pd.Series, spec: dict[str, Any]) -> np.ndarray:
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age = first_numeric(row, "age_approx")
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skin_tone = first_numeric(row, "skin_tone_class")
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sex = first_string(row, "sex")
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site = first_string(row, "site")
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values: list[float] = [
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0.0 if age is None else float(age) / 100.0,
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0.0 if skin_tone is None else float(skin_tone) / 6.0,
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]
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values.extend(1.0 if sex == item else 0.0 for item in spec["sex_values"])
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values.extend(1.0 if site == item else 0.0 for item in spec["site_values"])
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return np.asarray(values, dtype=np.float32)
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def first_numeric(row: pd.Series, field: str) -> float | None:
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for prefix in ("clinical", "dermoscopic"):
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value = pd.to_numeric(row.get(f"{prefix}_{field}"), errors="coerce")
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if not pd.isna(value):
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return float(value)
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return None
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def first_string(row: pd.Series, field: str) -> str:
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for prefix in ("clinical", "dermoscopic"):
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value = row.get(f"{prefix}_{field}")
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if pd.notna(value):
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value = str(value).strip()
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if value:
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return value
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return "unknown"
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def make_transforms(image_size: int):
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normalize = transforms.Normalize(mean=[0.485, 0.456, 0.406], std=[0.229, 0.224, 0.225])
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train_transform = transforms.Compose(
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[
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transforms.Resize((image_size, image_size)),
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transforms.RandomHorizontalFlip(),
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transforms.RandomVerticalFlip(),
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transforms.RandomRotation(20),
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transforms.ColorJitter(brightness=0.2, contrast=0.2, saturation=0.2),
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transforms.ToTensor(),
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normalize,
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]
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)
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eval_transform = transforms.Compose(
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[
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transforms.Resize((image_size, image_size)),
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transforms.ToTensor(),
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normalize,
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]
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)
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return train_transform, eval_transform
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def make_loaders(
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train_df: pd.DataFrame,
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val_df: pd.DataFrame,
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label_to_idx: dict[str, int],
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metadata_spec: dict[str, Any],
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args: argparse.Namespace,
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) -> tuple[DataLoader, DataLoader]:
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train_transform, eval_transform = make_transforms(args.image_size)
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train_ds = PairedMilk10kMetadataDataset(train_df, label_to_idx, metadata_spec, train_transform)
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val_ds = PairedMilk10kMetadataDataset(val_df, label_to_idx, metadata_spec, eval_transform)
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| 350 |
-
common = dict(
|
| 351 |
-
batch_size=args.batch_size,
|
| 352 |
-
num_workers=args.num_workers,
|
| 353 |
-
pin_memory=torch.cuda.is_available(),
|
| 354 |
-
drop_last=False,
|
| 355 |
-
)
|
| 356 |
-
return DataLoader(train_ds, shuffle=True, **common), DataLoader(val_ds, shuffle=False, **common)
|
| 357 |
-
|
| 358 |
-
|
| 359 |
-
def extract_state_dict(checkpoint: Any) -> dict[str, torch.Tensor]:
|
| 360 |
-
if isinstance(checkpoint, dict):
|
| 361 |
-
for key in CHECKPOINT_STATE_KEYS:
|
| 362 |
-
value = checkpoint.get(key)
|
| 363 |
-
if isinstance(value, dict):
|
| 364 |
-
return value
|
| 365 |
-
if isinstance(checkpoint, dict) and all(torch.is_tensor(value) for value in checkpoint.values()):
|
| 366 |
-
return checkpoint
|
| 367 |
-
raise ValueError("Checkpoint does not contain a supported state dict.")
|
| 368 |
-
|
| 369 |
-
|
| 370 |
-
def load_raw_checkpoint(path: Path, device: torch.device, branch_name: str) -> Any:
|
| 371 |
-
if not path.exists():
|
| 372 |
-
raise FileNotFoundError(f"{branch_name} checkpoint not found: {path}")
|
| 373 |
-
try:
|
| 374 |
-
return torch.load(path, map_location=device, weights_only=False)
|
| 375 |
-
except TypeError:
|
| 376 |
-
return torch.load(path, map_location=device)
|
| 377 |
-
|
| 378 |
-
|
| 379 |
-
def normalize_key(key: str) -> str:
|
| 380 |
-
changed = True
|
| 381 |
-
while changed:
|
| 382 |
-
changed = False
|
| 383 |
-
for prefix in PREFIXES_TO_STRIP:
|
| 384 |
-
if key.startswith(prefix):
|
| 385 |
-
key = key.removeprefix(prefix)
|
| 386 |
-
changed = True
|
| 387 |
-
return key
|
| 388 |
-
|
| 389 |
-
|
| 390 |
-
def infer_checkpoint_backend(path: Path, device: torch.device, branch_name: str) -> str:
|
| 391 |
-
checkpoint = load_raw_checkpoint(path, device, branch_name)
|
| 392 |
-
state = extract_state_dict(checkpoint)
|
| 393 |
-
keys = {normalize_key(key) for key in state}
|
| 394 |
-
timm_prefixes = ("conv_stem.", "bn1.", "blocks.", "conv_head.", "bn2.")
|
| 395 |
-
torchvision_prefixes = ("features.", "avgpool.", "classifier.")
|
| 396 |
-
timm_hits = sum(key.startswith(timm_prefixes) for key in keys)
|
| 397 |
-
torchvision_hits = sum(key.startswith(torchvision_prefixes) for key in keys)
|
| 398 |
-
if timm_hits > torchvision_hits:
|
| 399 |
-
return "timm"
|
| 400 |
-
if torchvision_hits > timm_hits:
|
| 401 |
-
return "torchvision"
|
| 402 |
-
raise RuntimeError(
|
| 403 |
-
f"{branch_name}: cannot infer checkpoint backend from {path}. "
|
| 404 |
-
"Pass --backbone-backend timm or --backbone-backend torchvision explicitly."
|
| 405 |
-
)
|
| 406 |
-
|
| 407 |
-
|
| 408 |
-
def resolve_backbone_backends(args: argparse.Namespace, device: torch.device) -> tuple[str, str]:
|
| 409 |
-
if args.backbone_backend != "auto":
|
| 410 |
-
return args.backbone_backend, args.backbone_backend
|
| 411 |
-
|
| 412 |
-
clinical_backend = infer_checkpoint_backend(args.clinical_checkpoint, device, "clinical")
|
| 413 |
-
dermoscopic_backend = infer_checkpoint_backend(args.dermoscopic_checkpoint, device, "dermoscopic")
|
| 414 |
-
print(f"Auto-detected backbone backends: clinical={clinical_backend}, dermoscopic={dermoscopic_backend}")
|
| 415 |
-
return clinical_backend, dermoscopic_backend
|
| 416 |
-
|
| 417 |
-
|
| 418 |
-
def load_encoder_checkpoint(path: Path, encoder: nn.Module, branch_name: str, device: torch.device) -> None:
|
| 419 |
-
checkpoint = load_raw_checkpoint(path, device, branch_name)
|
| 420 |
-
raw_state = extract_state_dict(checkpoint)
|
| 421 |
-
source_state = {normalize_key(key): value for key, value in raw_state.items()}
|
| 422 |
-
target_state = encoder.state_dict()
|
| 423 |
-
matched = {
|
| 424 |
-
key: value
|
| 425 |
-
for key, value in source_state.items()
|
| 426 |
-
if key in target_state and tuple(value.shape) == tuple(target_state[key].shape)
|
| 427 |
-
}
|
| 428 |
-
skipped = len(source_state) - len(matched)
|
| 429 |
-
if not matched:
|
| 430 |
-
raise RuntimeError(f"{branch_name}: no matching encoder weights loaded from {path}")
|
| 431 |
-
|
| 432 |
-
target_state.update(matched)
|
| 433 |
-
encoder.load_state_dict(target_state)
|
| 434 |
-
print(f"{branch_name}: loaded {len(matched)} keys from {path}; skipped {skipped} keys")
|
| 435 |
-
|
| 436 |
-
|
| 437 |
-
def set_encoder_trainable(model: DualEffB2MetadataClassifier, trainable: bool) -> None:
|
| 438 |
-
for param in model.clinical_encoder.parameters():
|
| 439 |
-
param.requires_grad = trainable
|
| 440 |
-
for param in model.dermoscopic_encoder.parameters():
|
| 441 |
-
param.requires_grad = trainable
|
| 442 |
-
|
| 443 |
-
|
| 444 |
-
def build_optimizer(model: DualEffB2MetadataClassifier, args: argparse.Namespace, encoders_trainable: bool) -> torch.optim.Optimizer:
|
| 445 |
-
head_params = []
|
| 446 |
-
encoder_params = []
|
| 447 |
-
for name, param in model.named_parameters():
|
| 448 |
-
if not param.requires_grad:
|
| 449 |
-
continue
|
| 450 |
-
if name.startswith(("clinical_encoder.", "dermoscopic_encoder.")):
|
| 451 |
-
encoder_params.append(param)
|
| 452 |
-
else:
|
| 453 |
-
head_params.append(param)
|
| 454 |
-
|
| 455 |
-
groups = [{"params": head_params, "lr": args.head_lr}]
|
| 456 |
-
if encoders_trainable and encoder_params:
|
| 457 |
-
groups.append({"params": encoder_params, "lr": args.encoder_lr})
|
| 458 |
-
return torch.optim.AdamW(groups, weight_decay=args.weight_decay)
|
| 459 |
-
|
| 460 |
-
|
| 461 |
-
def build_loss(train_df: pd.DataFrame, label_to_idx: dict[str, int], args: argparse.Namespace, device: torch.device) -> nn.Module:
|
| 462 |
-
weight = None
|
| 463 |
-
if args.class_weight:
|
| 464 |
-
y = np.array([label_to_idx[label] for label in train_df["label"]])
|
| 465 |
-
weights = compute_class_weight(class_weight="balanced", classes=np.arange(len(label_to_idx)), y=y)
|
| 466 |
-
weight = torch.tensor(weights, dtype=torch.float32, device=device)
|
| 467 |
-
return nn.CrossEntropyLoss(weight=weight)
|
| 468 |
-
|
| 469 |
-
|
| 470 |
-
def move_batch(batch: dict[str, torch.Tensor], device: torch.device) -> tuple[torch.Tensor, torch.Tensor, torch.Tensor, torch.Tensor]:
|
| 471 |
-
clinical = batch["clinical"].to(device, non_blocking=True)
|
| 472 |
-
dermoscopic = batch["dermoscopic"].to(device, non_blocking=True)
|
| 473 |
-
metadata = batch["metadata"].to(device, non_blocking=True)
|
| 474 |
-
labels = batch["label"].to(device, non_blocking=True)
|
| 475 |
-
return clinical, dermoscopic, metadata, labels
|
| 476 |
-
|
| 477 |
-
|
| 478 |
-
def run_epoch(
|
| 479 |
-
model: DualEffB2MetadataClassifier,
|
| 480 |
-
loader: DataLoader,
|
| 481 |
-
criterion: nn.Module,
|
| 482 |
-
device: torch.device,
|
| 483 |
-
optimizer: torch.optim.Optimizer | None = None,
|
| 484 |
-
scaler: GradScaler | None = None,
|
| 485 |
-
use_amp: bool = False,
|
| 486 |
-
) -> dict[str, float]:
|
| 487 |
-
training = optimizer is not None
|
| 488 |
-
model.train(training)
|
| 489 |
-
total_loss = 0.0
|
| 490 |
-
correct = 0
|
| 491 |
-
top3_correct = 0
|
| 492 |
-
total = 0
|
| 493 |
-
|
| 494 |
-
for batch in tqdm(loader, leave=False):
|
| 495 |
-
clinical, dermoscopic, metadata, labels = move_batch(batch, device)
|
| 496 |
-
if training:
|
| 497 |
-
optimizer.zero_grad(set_to_none=True)
|
| 498 |
-
|
| 499 |
-
with torch.set_grad_enabled(training):
|
| 500 |
-
with autocast("cuda", enabled=use_amp):
|
| 501 |
-
logits = model(clinical, dermoscopic, metadata)
|
| 502 |
-
loss = criterion(logits, labels)
|
| 503 |
-
if training:
|
| 504 |
-
if scaler is not None and use_amp:
|
| 505 |
-
scaler.scale(loss).backward()
|
| 506 |
-
scaler.unscale_(optimizer)
|
| 507 |
-
torch.nn.utils.clip_grad_norm_(model.parameters(), max_norm=1.0)
|
| 508 |
-
scaler.step(optimizer)
|
| 509 |
-
scaler.update()
|
| 510 |
-
else:
|
| 511 |
-
loss.backward()
|
| 512 |
-
torch.nn.utils.clip_grad_norm_(model.parameters(), max_norm=1.0)
|
| 513 |
-
optimizer.step()
|
| 514 |
-
|
| 515 |
-
batch_size = labels.size(0)
|
| 516 |
-
total_loss += float(loss.detach().item()) * batch_size
|
| 517 |
-
correct += (logits.argmax(dim=1) == labels).sum().item()
|
| 518 |
-
topk = min(3, logits.size(1))
|
| 519 |
-
top3_correct += logits.topk(topk, dim=1).indices.eq(labels[:, None]).any(dim=1).sum().item()
|
| 520 |
-
total += batch_size
|
| 521 |
-
|
| 522 |
-
return {
|
| 523 |
-
"loss": total_loss / max(total, 1),
|
| 524 |
-
"accuracy": correct / max(total, 1),
|
| 525 |
-
"top3_accuracy": top3_correct / max(total, 1),
|
| 526 |
-
}
|
| 527 |
-
|
| 528 |
-
|
| 529 |
-
@torch.no_grad()
|
| 530 |
-
def predict(model: DualEffB2MetadataClassifier, loader: DataLoader, device: torch.device) -> tuple[np.ndarray, np.ndarray]:
|
| 531 |
-
model.eval()
|
| 532 |
-
labels_all = []
|
| 533 |
-
probs_all = []
|
| 534 |
-
for batch in tqdm(loader, leave=False):
|
| 535 |
-
clinical, dermoscopic, metadata, labels = move_batch(batch, device)
|
| 536 |
-
logits = model(clinical, dermoscopic, metadata)
|
| 537 |
-
labels_all.append(labels.cpu().numpy())
|
| 538 |
-
probs_all.append(torch.softmax(logits, dim=1).cpu().numpy())
|
| 539 |
-
return np.concatenate(labels_all), np.concatenate(probs_all)
|
| 540 |
-
|
| 541 |
-
|
| 542 |
-
def compute_metrics(y_true: np.ndarray, y_prob: np.ndarray, class_names: list[str]) -> tuple[dict[str, Any], pd.DataFrame, np.ndarray]:
|
| 543 |
-
y_pred = y_prob.argmax(axis=1)
|
| 544 |
-
labels = list(range(len(class_names)))
|
| 545 |
-
y_true_bin = label_binarize(y_true, classes=labels)
|
| 546 |
-
cm = confusion_matrix(y_true, y_pred, labels=labels)
|
| 547 |
-
|
| 548 |
-
precision_macro, recall_macro, f1_macro, _ = precision_recall_fscore_support(
|
| 549 |
-
y_true, y_pred, labels=labels, average="macro", zero_division=0
|
| 550 |
-
)
|
| 551 |
-
precision_weighted, recall_weighted, f1_weighted, _ = precision_recall_fscore_support(
|
| 552 |
-
y_true, y_pred, labels=labels, average="weighted", zero_division=0
|
| 553 |
-
)
|
| 554 |
-
precision_per_class, recall_per_class, f1_per_class, support_per_class = precision_recall_fscore_support(
|
| 555 |
-
y_true, y_pred, labels=labels, average=None, zero_division=0
|
| 556 |
-
)
|
| 557 |
-
|
| 558 |
-
total = cm.sum()
|
| 559 |
-
per_class_rows = []
|
| 560 |
-
for idx, class_name in enumerate(class_names):
|
| 561 |
-
tp = int(cm[idx, idx])
|
| 562 |
-
fn = int(cm[idx, :].sum() - tp)
|
| 563 |
-
fp = int(cm[:, idx].sum() - tp)
|
| 564 |
-
tn = int(total - tp - fn - fp)
|
| 565 |
-
try:
|
| 566 |
-
auc_ovr = float(roc_auc_score(y_true_bin[:, idx], y_prob[:, idx]))
|
| 567 |
-
except ValueError:
|
| 568 |
-
auc_ovr = None
|
| 569 |
-
per_class_rows.append(
|
| 570 |
-
{
|
| 571 |
-
"class": class_name,
|
| 572 |
-
"support": int(support_per_class[idx]),
|
| 573 |
-
"precision": float(precision_per_class[idx]),
|
| 574 |
-
"recall_sensitivity": float(recall_per_class[idx]),
|
| 575 |
-
"specificity": tn / (tn + fp) if (tn + fp) else 0.0,
|
| 576 |
-
"f1": float(f1_per_class[idx]),
|
| 577 |
-
"auc_ovr": auc_ovr,
|
| 578 |
-
}
|
| 579 |
-
)
|
| 580 |
-
|
| 581 |
-
metrics = {
|
| 582 |
-
"accuracy": float(accuracy_score(y_true, y_pred)),
|
| 583 |
-
"balanced_accuracy": float(balanced_accuracy_score(y_true, y_pred)),
|
| 584 |
-
"top2_accuracy": float(np.mean((np.argsort(y_prob, axis=1)[:, -min(2, len(class_names)) :] == y_true[:, None]).any(axis=1))),
|
| 585 |
-
"top3_accuracy": float(np.mean((np.argsort(y_prob, axis=1)[:, -min(3, len(class_names)) :] == y_true[:, None]).any(axis=1))),
|
| 586 |
-
"precision_macro": float(precision_macro),
|
| 587 |
-
"recall_macro": float(recall_macro),
|
| 588 |
-
"f1_macro": float(f1_macro),
|
| 589 |
-
"precision_weighted": float(precision_weighted),
|
| 590 |
-
"recall_weighted": float(recall_weighted),
|
| 591 |
-
"f1_weighted": float(f1_weighted),
|
| 592 |
-
"roc_auc_macro_ovr": safe_roc_auc(y_true_bin, y_prob, "macro"),
|
| 593 |
-
"roc_auc_weighted_ovr": safe_roc_auc(y_true_bin, y_prob, "weighted"),
|
| 594 |
-
"classification_report": classification_report(
|
| 595 |
-
y_true,
|
| 596 |
-
y_pred,
|
| 597 |
-
labels=labels,
|
| 598 |
-
target_names=class_names,
|
| 599 |
-
zero_division=0,
|
| 600 |
-
output_dict=True,
|
| 601 |
-
),
|
| 602 |
-
"class_names": class_names,
|
| 603 |
-
}
|
| 604 |
-
return metrics, pd.DataFrame(per_class_rows), cm
|
| 605 |
-
|
| 606 |
-
|
| 607 |
-
def safe_roc_auc(y_true_bin: np.ndarray, y_prob: np.ndarray, average: str | None) -> float | None:
|
| 608 |
-
try:
|
| 609 |
-
return float(roc_auc_score(y_true_bin, y_prob, average=average, multi_class="ovr"))
|
| 610 |
-
except ValueError:
|
| 611 |
-
return None
|
| 612 |
-
|
| 613 |
-
|
| 614 |
-
def save_checkpoint(
|
| 615 |
-
path: Path,
|
| 616 |
-
model: DualEffB2MetadataClassifier,
|
| 617 |
-
optimizer: torch.optim.Optimizer,
|
| 618 |
-
epoch: int,
|
| 619 |
-
phase: str,
|
| 620 |
-
best_val_loss: float,
|
| 621 |
-
class_names: list[str],
|
| 622 |
-
label_to_idx: dict[str, int],
|
| 623 |
-
metadata_spec: dict[str, Any],
|
| 624 |
-
args: argparse.Namespace,
|
| 625 |
-
) -> None:
|
| 626 |
-
torch.save(
|
| 627 |
-
{
|
| 628 |
-
"epoch": epoch,
|
| 629 |
-
"phase": phase,
|
| 630 |
-
"model_state": model.state_dict(),
|
| 631 |
-
"optimizer_state": optimizer.state_dict(),
|
| 632 |
-
"best_val_loss": best_val_loss,
|
| 633 |
-
"class_names": class_names,
|
| 634 |
-
"label_to_idx": label_to_idx,
|
| 635 |
-
"metadata_spec": metadata_spec,
|
| 636 |
-
"args": {key: str(value) if isinstance(value, Path) else value for key, value in vars(args).items()},
|
| 637 |
-
},
|
| 638 |
-
path,
|
| 639 |
-
)
|
| 640 |
-
|
| 641 |
-
|
| 642 |
-
def save_predictions(
|
| 643 |
-
val_df: pd.DataFrame,
|
| 644 |
-
y_true: np.ndarray,
|
| 645 |
-
y_prob: np.ndarray,
|
| 646 |
-
class_names: list[str],
|
| 647 |
-
output_dir: Path,
|
| 648 |
-
) -> None:
|
| 649 |
-
y_pred = y_prob.argmax(axis=1)
|
| 650 |
-
prediction_df = pd.DataFrame(
|
| 651 |
-
{
|
| 652 |
-
"lesion_id": val_df["lesion_id"].tolist(),
|
| 653 |
-
"clinical_path": val_df["clinical_path"].tolist(),
|
| 654 |
-
"dermoscopic_path": val_df["dermoscopic_path"].tolist(),
|
| 655 |
-
"y_true": y_true,
|
| 656 |
-
"y_pred": y_pred,
|
| 657 |
-
"label_true": [class_names[idx] for idx in y_true],
|
| 658 |
-
"label_pred": [class_names[idx] for idx in y_pred],
|
| 659 |
-
"confidence": y_prob.max(axis=1),
|
| 660 |
-
}
|
| 661 |
-
)
|
| 662 |
-
probability_df = pd.DataFrame(y_prob, columns=[f"prob_{name}" for name in class_names])
|
| 663 |
-
pd.concat([prediction_df, probability_df], axis=1).to_csv(output_dir / "val_predictions.csv", index=False)
|
| 664 |
-
|
| 665 |
-
|
| 666 |
-
def train_phase(
|
| 667 |
-
phase: str,
|
| 668 |
-
num_epochs: int,
|
| 669 |
-
start_epoch: int,
|
| 670 |
-
model: DualEffB2MetadataClassifier,
|
| 671 |
-
train_loader: DataLoader,
|
| 672 |
-
val_loader: DataLoader,
|
| 673 |
-
criterion: nn.Module,
|
| 674 |
-
device: torch.device,
|
| 675 |
-
args: argparse.Namespace,
|
| 676 |
-
class_names: list[str],
|
| 677 |
-
label_to_idx: dict[str, int],
|
| 678 |
-
metadata_spec: dict[str, Any],
|
| 679 |
-
output_dir: Path,
|
| 680 |
-
history: list[dict[str, Any]],
|
| 681 |
-
best_val_loss: float,
|
| 682 |
-
) -> tuple[int, float]:
|
| 683 |
-
if num_epochs <= 0:
|
| 684 |
-
return start_epoch, best_val_loss
|
| 685 |
-
|
| 686 |
-
encoders_trainable = phase == "finetune"
|
| 687 |
-
set_encoder_trainable(model, encoders_trainable)
|
| 688 |
-
optimizer = build_optimizer(model, args, encoders_trainable)
|
| 689 |
-
scheduler = torch.optim.lr_scheduler.ReduceLROnPlateau(optimizer, mode="min", factor=0.2, patience=2)
|
| 690 |
-
scaler = GradScaler("cuda", enabled=args.amp and device.type == "cuda")
|
| 691 |
-
use_amp = args.amp and device.type == "cuda"
|
| 692 |
-
patience_count = 0
|
| 693 |
-
|
| 694 |
-
print(f"\nPhase: {phase}, epochs={num_epochs}, encoders_trainable={encoders_trainable}")
|
| 695 |
-
for local_epoch in range(1, num_epochs + 1):
|
| 696 |
-
epoch = start_epoch + local_epoch - 1
|
| 697 |
-
train_stats = run_epoch(model, train_loader, criterion, device, optimizer, scaler, use_amp)
|
| 698 |
-
val_stats = run_epoch(model, val_loader, criterion, device)
|
| 699 |
-
scheduler.step(val_stats["loss"])
|
| 700 |
-
row = {
|
| 701 |
-
"phase": phase,
|
| 702 |
-
"epoch": epoch,
|
| 703 |
-
**{f"train_{key}": value for key, value in train_stats.items()},
|
| 704 |
-
**{f"val_{key}": value for key, value in val_stats.items()},
|
| 705 |
-
}
|
| 706 |
-
history.append(row)
|
| 707 |
-
pd.DataFrame(history).to_csv(output_dir / "history.csv", index=False)
|
| 708 |
-
print(
|
| 709 |
-
f"{phase} epoch {epoch:03d}: "
|
| 710 |
-
f"train_loss={train_stats['loss']:.4f} val_loss={val_stats['loss']:.4f} "
|
| 711 |
-
f"val_acc={val_stats['accuracy']:.4f} val_top3={val_stats['top3_accuracy']:.4f}"
|
| 712 |
-
)
|
| 713 |
-
|
| 714 |
-
if val_stats["loss"] < best_val_loss:
|
| 715 |
-
best_val_loss = val_stats["loss"]
|
| 716 |
-
patience_count = 0
|
| 717 |
-
save_checkpoint(
|
| 718 |
-
output_dir / "best.pt",
|
| 719 |
-
model,
|
| 720 |
-
optimizer,
|
| 721 |
-
epoch,
|
| 722 |
-
phase,
|
| 723 |
-
best_val_loss,
|
| 724 |
-
class_names,
|
| 725 |
-
label_to_idx,
|
| 726 |
-
metadata_spec,
|
| 727 |
-
args,
|
| 728 |
-
)
|
| 729 |
-
else:
|
| 730 |
-
patience_count += 1
|
| 731 |
-
if patience_count >= args.patience:
|
| 732 |
-
print(f"Early stopping {phase} at epoch {epoch}")
|
| 733 |
-
break
|
| 734 |
-
|
| 735 |
-
return start_epoch + num_epochs, best_val_loss
|
| 736 |
-
|
| 737 |
-
|
| 738 |
-
def save_run_config(
|
| 739 |
-
output_dir: Path,
|
| 740 |
-
args: argparse.Namespace,
|
| 741 |
-
class_names: list[str],
|
| 742 |
-
metadata_spec: dict[str, Any],
|
| 743 |
-
train_df: pd.DataFrame,
|
| 744 |
-
val_df: pd.DataFrame,
|
| 745 |
-
clinical_backbone_backend: str,
|
| 746 |
-
dermoscopic_backbone_backend: str,
|
| 747 |
-
) -> None:
|
| 748 |
-
payload = {
|
| 749 |
-
"args": {key: str(value) if isinstance(value, Path) else value for key, value in vars(args).items()},
|
| 750 |
-
"class_names": class_names,
|
| 751 |
-
"metadata_spec": metadata_spec,
|
| 752 |
-
"train_size": len(train_df),
|
| 753 |
-
"val_size": len(val_df),
|
| 754 |
-
"fusion": "concat(clinical_head, dermoscopic_head, metadata_head)",
|
| 755 |
-
"clinical_backbone": f"{clinical_backbone_backend} efficientnet_b2",
|
| 756 |
-
"dermoscopic_backbone": f"{dermoscopic_backbone_backend} efficientnet_b2",
|
| 757 |
-
}
|
| 758 |
-
with open(output_dir / "run_config.json", "w", encoding="utf-8") as f:
|
| 759 |
-
json.dump(payload, f, indent=2)
|
| 760 |
|
| 761 |
|
| 762 |
def main() -> None:
|
| 763 |
args = parse_args()
|
| 764 |
-
|
| 765 |
-
data_dir = resolve_data_dir(args.data_dir)
|
| 766 |
-
args.output_dir.mkdir(parents=True, exist_ok=True)
|
| 767 |
-
|
| 768 |
-
df = load_paired_dataframe(data_dir)
|
| 769 |
-
class_names = sorted(df["label"].unique())
|
| 770 |
-
label_to_idx = {label: idx for idx, label in enumerate(class_names)}
|
| 771 |
-
train_df, val_df = lesion_split(df, args.val_size, args.seed)
|
| 772 |
-
metadata_spec = fit_metadata_spec(train_df)
|
| 773 |
-
metadata_dim = len(metadata_vector(train_df.iloc[0], metadata_spec))
|
| 774 |
-
device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
|
| 775 |
-
clinical_backbone_backend, dermoscopic_backbone_backend = resolve_backbone_backends(args, device)
|
| 776 |
-
|
| 777 |
-
split_dir = args.output_dir / "splits"
|
| 778 |
-
split_dir.mkdir(exist_ok=True)
|
| 779 |
-
train_df.to_csv(split_dir / "train.csv", index=False)
|
| 780 |
-
val_df.to_csv(split_dir / "val.csv", index=False)
|
| 781 |
-
save_run_config(
|
| 782 |
-
args.output_dir,
|
| 783 |
-
args,
|
| 784 |
-
class_names,
|
| 785 |
-
metadata_spec,
|
| 786 |
-
train_df,
|
| 787 |
-
val_df,
|
| 788 |
-
clinical_backbone_backend,
|
| 789 |
-
dermoscopic_backbone_backend,
|
| 790 |
-
)
|
| 791 |
-
|
| 792 |
-
model = DualEffB2MetadataClassifier(
|
| 793 |
-
num_classes=len(class_names),
|
| 794 |
-
metadata_input_dim=metadata_dim,
|
| 795 |
-
branch_dim=args.branch_dim,
|
| 796 |
-
metadata_dim=args.metadata_dim,
|
| 797 |
-
classifier_hidden_dim=args.classifier_hidden_dim,
|
| 798 |
-
dropout=args.dropout,
|
| 799 |
-
imagenet_pretrained=args.imagenet_pretrained,
|
| 800 |
-
clinical_backbone_backend=clinical_backbone_backend,
|
| 801 |
-
dermoscopic_backbone_backend=dermoscopic_backbone_backend,
|
| 802 |
-
).to(device)
|
| 803 |
-
load_encoder_checkpoint(args.clinical_checkpoint, model.clinical_encoder, "clinical", device)
|
| 804 |
-
load_encoder_checkpoint(args.dermoscopic_checkpoint, model.dermoscopic_encoder, "dermoscopic", device)
|
| 805 |
-
|
| 806 |
-
train_loader, val_loader = make_loaders(train_df, val_df, label_to_idx, metadata_spec, args)
|
| 807 |
-
criterion = build_loss(train_df, label_to_idx, args, device)
|
| 808 |
-
print(f"Data dir: {data_dir}")
|
| 809 |
-
print(f"Output dir: {args.output_dir}")
|
| 810 |
-
print(f"Device: {device}")
|
| 811 |
-
print(f"Classes: {class_names}")
|
| 812 |
-
print(f"Paired lesions: train={len(train_df)}, val={len(val_df)}, total={len(df)}")
|
| 813 |
-
print(f"Metadata input dim: {metadata_dim}")
|
| 814 |
-
|
| 815 |
-
history: list[dict[str, Any]] = []
|
| 816 |
-
epoch, best_val_loss = train_phase(
|
| 817 |
-
"freeze",
|
| 818 |
-
args.freeze_epochs,
|
| 819 |
-
1,
|
| 820 |
-
model,
|
| 821 |
-
train_loader,
|
| 822 |
-
val_loader,
|
| 823 |
-
criterion,
|
| 824 |
-
device,
|
| 825 |
-
args,
|
| 826 |
-
class_names,
|
| 827 |
-
label_to_idx,
|
| 828 |
-
metadata_spec,
|
| 829 |
-
args.output_dir,
|
| 830 |
-
history,
|
| 831 |
-
float("inf"),
|
| 832 |
-
)
|
| 833 |
-
epoch, best_val_loss = train_phase(
|
| 834 |
-
"finetune",
|
| 835 |
-
args.finetune_epochs,
|
| 836 |
-
epoch,
|
| 837 |
-
model,
|
| 838 |
-
train_loader,
|
| 839 |
-
val_loader,
|
| 840 |
-
criterion,
|
| 841 |
-
device,
|
| 842 |
-
args,
|
| 843 |
-
class_names,
|
| 844 |
-
label_to_idx,
|
| 845 |
-
metadata_spec,
|
| 846 |
-
args.output_dir,
|
| 847 |
-
history,
|
| 848 |
-
best_val_loss,
|
| 849 |
-
)
|
| 850 |
|
| 851 |
-
|
| 852 |
-
if best_path.exists():
|
| 853 |
-
checkpoint = torch.load(best_path, map_location=device, weights_only=False)
|
| 854 |
-
model.load_state_dict(checkpoint["model_state"])
|
| 855 |
-
y_true, y_prob = predict(model, val_loader, device)
|
| 856 |
-
metrics, per_class_df, cm = compute_metrics(y_true, y_prob, class_names)
|
| 857 |
-
metrics = {"best_val_loss": float(best_val_loss), **metrics}
|
| 858 |
-
with open(args.output_dir / "metrics.json", "w", encoding="utf-8") as f:
|
| 859 |
-
json.dump(metrics, f, indent=2)
|
| 860 |
-
pd.DataFrame(cm, index=class_names, columns=class_names).to_csv(args.output_dir / "confusion_matrix.csv")
|
| 861 |
-
per_class_df.to_csv(args.output_dir / "per_class_metrics.csv", index=False)
|
| 862 |
-
save_predictions(val_df, y_true, y_prob, class_names, args.output_dir)
|
| 863 |
-
print(
|
| 864 |
-
f"Done: best_val_loss={best_val_loss:.4f}, "
|
| 865 |
-
f"val_acc={metrics['accuracy']:.4f}, balanced_acc={metrics['balanced_accuracy']:.4f}, "
|
| 866 |
-
f"f1_macro={metrics['f1_macro']:.4f}"
|
| 867 |
-
)
|
| 868 |
|
| 869 |
|
| 870 |
if __name__ == "__main__":
|
|
|
|
| 1 |
#!/usr/bin/env python3
|
| 2 |
+
"""Train a MILK10k dual EfficientNet-B2 classifier with metadata fusion."""
|
| 3 |
|
| 4 |
+
from milk10k_effb2_metadata.cli import parse_args
|
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| 5 |
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| 6 |
|
| 7 |
def main() -> None:
|
| 8 |
args = parse_args()
|
| 9 |
+
from milk10k_effb2_metadata.training import run
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| 10 |
|
| 11 |
+
run(args)
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| 12 |
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| 13 |
|
| 14 |
if __name__ == "__main__":
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