from __future__ import annotations from pathlib import Path from typing import Callable, Dict, Iterable, List, Optional, Tuple import numpy as np import pandas as pd class DataBundle: """ Generic, torch-free container for metadata and file/label bookkeeping. Keeps feature typing, vectorization, and patient-level splits generic. Dataset-specific preprocessing (e.g., eye canonicalization) should live in the dataset builder (e.g., papila_builders in v2). """ def __init__( self, *, image_dir: str, clinical_dir: Optional[str] = None, label_col: str, patient_col: str = "Patient ID", cat_cols: Optional[Iterable[str]] = None, max_unique_for_cat: int = 4, n_splits: int = 5, random_seed: int = 42, filename_template: str = "RET{pid:03d}{eye}.jpg", image_path_fn: Optional[Callable[[pd.Series], Path]] = None, ) -> None: self.image_dir = Path(image_dir) self.label_col = label_col self.patient_col = patient_col self.max_unique_for_cat = max_unique_for_cat self.n_splits = n_splits self.filename_template = filename_template self.image_path_fn = image_path_fn self.clinical_dir = Path(clinical_dir) if clinical_dir else None # Internal state self.frames: List[pd.DataFrame] = [] self.df: pd.DataFrame = pd.DataFrame() self.scalar_cols: List[str] = [] self.cat_cols: List[str] = list(cat_cols) if cat_cols is not None else [] self.scalar_stats: Dict[str, Dict[str, float]] = {} self.cat_maps: Dict[str, Dict[object, int]] = {} self.feature_dim: int = 0 self.folds: Dict[int, Dict[str, List[object]]] = {} self.random_seed = int(random_seed) # ------------------- Public API ------------------- def add_df( self, df: pd.DataFrame, *, id_column: Optional[str] = None, exclude_cols: Optional[Iterable[str]] = None, ) -> None: """ Add a dataframe and re-run typing, stats, and K-fold indices. QC rules: - Must have patient ID column; if not provided under that name, specify id_column. """ df = df.copy() self._ensure_patient_id(df, id_column) if self.label_col not in df.columns: raise ValueError(f"label_col '{self.label_col}' not found in added dataframe") self.frames.append(df) self._refresh_master_df(exclude_cols=exclude_cols) self._infer_or_validate_feature_types(exclude_cols=exclude_cols) self._compute_numeric_stats() self._build_cat_maps() self._compute_feature_dim() self._build_kfold_indices() def get_split_ids(self, fold: int) -> Tuple[List[object], List[object]]: rec = self.folds.get(fold) if not rec: raise KeyError(f"Fold {fold} not available. Built folds: {sorted(self.folds.keys())}") return rec["train_ids"], rec["test_ids"] def get_split_dfs(self, fold: int) -> Tuple[pd.DataFrame, pd.DataFrame]: train_ids, test_ids = self.get_split_ids(fold) train_df = self.df[self.df[self.patient_col].isin(train_ids)].reset_index(drop=True) test_df = self.df[self.df[self.patient_col].isin(test_ids)].reset_index(drop=True) return train_df, test_df def vectorize_row(self, row: pd.Series) -> np.ndarray: """Return a numpy feature vector (torch-free).""" feats: List[float] = [] miss: List[float] = [] # numeric for col in self.scalar_cols: v = pd.to_numeric(row.get(col), errors="coerce") if pd.isna(v): miss.append(1.0) v = self.scalar_stats[col]["median"] else: miss.append(0.0) lo = self.scalar_stats[col]["min"] hi = self.scalar_stats[col]["max"] feats.append((float(v) - lo) / (hi - lo) if hi > lo else 0.0) # categorical for col in self.cat_cols: mapping = self.cat_maps[col] one = [0.0] * len(mapping) key = row.get(col) one[mapping.get(key, 0)] = 1.0 # 0 is feats.extend(one) # numeric missing flags feats.extend(miss) return np.asarray(feats, dtype=np.float32) def get_image_path(self, row: pd.Series) -> Path: if self.image_path_fn is not None: return Path(self.image_path_fn(row)) pid = int(row[self.patient_col]) eye = row.get("eyeID", "") if eye in ("OS", "OD"): eye_str = eye else: eye_str = str(eye) return self.image_dir / self.filename_template.format(pid=pid, eye=eye_str) def encode_metadata(self, row: pd.Series) -> np.ndarray: return self.vectorize_row(row) def get_label(self, row: pd.Series) -> int: return int(row[self.label_col]) # ------------------- Internal helpers ------------------- def _ensure_patient_id(self, df: pd.DataFrame, id_column: Optional[str]) -> None: if self.patient_col in df.columns: return if id_column and id_column in df.columns: df.rename(columns={id_column: self.patient_col}, inplace=True) return candidates = [ c for c in df.columns if c.lower().replace(" ", "") in {"patientid", "patient", "pid"} ] if len(candidates) == 1: df.rename(columns={candidates[0]: self.patient_col}, inplace=True) return raise ValueError( f"A '{self.patient_col}' column is required; provide id_column=... if it has a different name." ) def _refresh_master_df(self, exclude_cols: Optional[Iterable[str]] = None) -> None: self.df = pd.concat(self.frames, axis=0, ignore_index=True) if exclude_cols: self.df = self.df.drop(columns=[c for c in exclude_cols if c in self.df.columns]) def _infer_or_validate_feature_types(self, exclude_cols: Optional[Iterable[str]] = None) -> None: excluded = set(exclude_cols or []) | {self.label_col, self.patient_col} feature_candidates = [c for c in self.df.columns if c not in excluded] cats = set(self.cat_cols) if self.cat_cols else set() scalars = set() for c in feature_candidates: if c in cats: continue s = self.df[c] as_num = pd.to_numeric(s, errors="coerce") num_missing = as_num.isna().mean() num_unique = s.dropna().nunique() if as_num.notna().any() and num_missing < 1.0 and num_unique > self.max_unique_for_cat: scalars.add(c) else: if num_unique <= self.max_unique_for_cat or as_num.isna().mean() > 0.0: cats.add(c) else: scalars.add(c) self.cat_cols = sorted(cats) self.scalar_cols = sorted(scalars) def _compute_numeric_stats(self) -> None: self.scalar_stats.clear() for col in self.scalar_cols: s = pd.to_numeric(self.df[col], errors="coerce") vals = s.dropna().astype(float).values if vals.size == 0: lo, hi, med = 0.0, 1.0, 0.0 else: lo, hi = float(np.min(vals)), float(np.max(vals)) med = float(np.median(vals)) if hi <= lo: hi = lo + 1.0 self.scalar_stats[col] = {"min": lo, "max": hi, "median": med} def _build_cat_maps(self) -> None: self.cat_maps.clear() for col in self.cat_cols: cats = [v for v in self.df[col].dropna().unique().tolist()] try: cats = sorted(cats) except Exception: pass mapping = {"": 0} for i, v in enumerate(cats, start=1): mapping[v] = i self.cat_maps[col] = mapping def _compute_feature_dim(self) -> None: self.feature_dim = len(self.scalar_cols) + sum(len(m) for m in self.cat_maps.values()) + len(self.scalar_cols) # ------------------- K-fold on unique patients ------------------- def _build_kfold_indices(self) -> None: pats = self.df[self.patient_col].unique().tolist() labels_by_pat: Dict[object, object] = {} for pid, grp in self.df.groupby(self.patient_col): lab = grp[self.label_col].dropna() if len(lab) == 0: labels_by_pat[pid] = 0 else: labels_by_pat[pid] = lab.mode().iloc[0] y_pat = np.array([labels_by_pat[p] for p in pats]) try: from sklearn.model_selection import StratifiedGroupKFold sgkf = StratifiedGroupKFold( n_splits=self.n_splits, shuffle=True, random_state=self.random_seed ) split_iter = sgkf.split(X=pats, y=y_pat, groups=pats) except Exception: from sklearn.model_selection import StratifiedKFold skf = StratifiedKFold( n_splits=self.n_splits, shuffle=True, random_state=self.random_seed ) split_iter = skf.split(X=np.zeros(len(pats)), y=y_pat) self.folds.clear() for i, (train_idx, test_idx) in enumerate(split_iter): train_ids = [pats[j] for j in train_idx] test_ids = [pats[j] for j in test_idx] self.folds[i] = {"train_ids": train_ids, "test_ids": test_ids}