"""LLM response evaluation for GE benchmark tasks GE-L1 through GE-L4. Mirrors src/negbiodb_ppi/llm_eval.py structure: - parse_*_answer/response: Extract structured data from raw LLM output - evaluate_*: Compute task-specific metrics - compute_all_ge_llm_metrics: Dispatch to task-specific evaluator """ from __future__ import annotations import json import logging import re from collections import Counter import numpy as np logger = logging.getLogger(__name__) # Valid labels for each task _L1_VALID = {"A", "B", "C", "D"} _L4_VALID = {"tested", "untested"} # ── GE-L1: 4-way classification ────────────────────────────────────────── def parse_ge_l1_answer(raw: str) -> str | None: """Extract single-letter answer (A-D) from LLM response. Tries: 1. Single letter on first line 2. Pattern like "Answer: B" or "(B)" 3. First A-D word token in full text """ if not raw: return None if raw.startswith("ERROR:"): return None raw = raw.strip() first_line = raw.split("\n")[0].strip() # Single letter if first_line.upper() in _L1_VALID: return first_line.upper() # "Answer: B" or "(B)" or "B)" m = re.search(r"(?:answer[:\s]*|[\(\[])\s*([A-D])\s*[)\]]?", first_line, re.IGNORECASE) if m: return m.group(1).upper() # First A-D as a whole word/token (not embedded in words) m = re.search(r"\b([A-D])\b", raw, re.IGNORECASE) if m: return m.group(1).upper() return None def evaluate_ge_l1( predictions: list[str], gold_labels: list[str], ) -> dict: """Compute GE-L1 metrics: accuracy, weighted_f1, macro_f1, MCC.""" from sklearn.metrics import ( accuracy_score, f1_score, matthews_corrcoef, ) parsed = [parse_ge_l1_answer(p) for p in predictions] valid_mask = [p is not None for p in parsed] n_valid = sum(valid_mask) n_total = len(predictions) if n_valid == 0: return { "accuracy": 0.0, "weighted_f1": 0.0, "macro_f1": 0.0, "mcc": 0.0, "valid_rate": 0.0, "n_valid": 0, "n_total": n_total, } y_pred = [p for p, v in zip(parsed, valid_mask) if v] y_true = [g for g, v in zip(gold_labels, valid_mask) if v] labels = sorted(_L1_VALID) return { "accuracy": accuracy_score(y_true, y_pred), "weighted_f1": f1_score(y_true, y_pred, labels=labels, average="weighted", zero_division=0), "macro_f1": f1_score(y_true, y_pred, labels=labels, average="macro", zero_division=0), "mcc": matthews_corrcoef(y_true, y_pred), "valid_rate": n_valid / n_total, "n_valid": n_valid, "n_total": n_total, } # ── GE-L2: Information extraction ──────────────────────────────────────── def parse_ge_l2_response(raw: str) -> dict | None: """Parse JSON response from GE-L2 extraction task. Tries: 1. Direct JSON parse 2. Extract JSON from markdown code block 3. Regex for JSON object """ if not raw: return None raw = raw.strip() # Try direct parse try: return json.loads(raw) except json.JSONDecodeError: pass # Try markdown code block m = re.search(r"```(?:json)?\s*([\s\S]*?)```", raw) if m: try: return json.loads(m.group(1).strip()) except json.JSONDecodeError: pass # Try extracting JSON object m = re.search(r"\{[\s\S]*\}", raw) if m: try: return json.loads(m.group(0)) except json.JSONDecodeError: pass return None def _get_gene_list(extraction: dict) -> list[dict]: """Extract gene list from either 'genes' or legacy 'essentiality_findings' key.""" return extraction.get("genes") or extraction.get("essentiality_findings") or [] def evaluate_ge_l2( predictions: list[str], gold_extractions: list[dict], ) -> dict: """Compute GE-L2 metrics: parse_rate, schema_compliance, field_f1, essentiality_accuracy. Normalised gold schema uses 'genes' key (legacy 'essentiality_findings' is also accepted). """ n_total = len(predictions) parsed = [parse_ge_l2_response(p) for p in predictions] n_parsed = sum(1 for p in parsed if p is not None) required_fields = {"genes", "total_genes_mentioned", "screen_type"} n_compliant = 0 field_scores: list[float] = [] essentiality_correct = 0 essentiality_total = 0 for pred, gold in zip(parsed, gold_extractions): if pred is None: field_scores.append(0.0) continue # Schema compliance — normalise pred key (accept either) pred_norm_keys = set(pred.keys()) if "essentiality_findings" in pred_norm_keys and "genes" not in pred_norm_keys: pred_norm_keys = (pred_norm_keys - {"essentiality_findings"}) | {"genes"} if required_fields.issubset(pred_norm_keys): n_compliant += 1 # Field-level F1 against normalised gold keys gold_norm = {} if gold: gold_norm = dict(gold) if "essentiality_findings" in gold_norm and "genes" not in gold_norm: gold_norm["genes"] = gold_norm.pop("essentiality_findings") if "total_gene_count" in gold_norm and "total_genes_mentioned" not in gold_norm: gold_norm["total_genes_mentioned"] = gold_norm.pop("total_gene_count") gold_fields = set(gold_norm.keys()) pred_fields = pred_norm_keys if not gold_fields and not pred_fields: field_scores.append(1.0) elif not gold_fields or not pred_fields: field_scores.append(0.0) else: tp = len(gold_fields & pred_fields) precision = tp / max(len(pred_fields), 1) recall = tp / max(len(gold_fields), 1) f1 = 2 * precision * recall / max(precision + recall, 1e-10) field_scores.append(f1) # Essentiality accuracy — compare per-gene essentiality_status pred_genes = _get_gene_list(pred) gold_genes = _get_gene_list(gold_norm) if gold_genes: # Build gold lookup: gene_name → essentiality_status gold_lookup = { g.get("gene_name", "").upper(): g.get("essentiality_status", "") for g in gold_genes if isinstance(g, dict) } for pg in pred_genes: if not isinstance(pg, dict): continue gname = pg.get("gene_name", "").upper() pred_status = pg.get("essentiality_status", "").lower().strip() if gname in gold_lookup: essentiality_total += 1 gold_status = gold_lookup[gname].lower().strip() if pred_status == gold_status: essentiality_correct += 1 return { "parse_rate": n_parsed / max(n_total, 1), "schema_compliance": n_compliant / max(n_total, 1), "field_f1": float(np.mean(field_scores)) if field_scores else 0.0, "essentiality_accuracy": ( essentiality_correct / essentiality_total if essentiality_total > 0 else 0.0 ), "essentiality_n": essentiality_total, "n_parsed": n_parsed, "n_total": n_total, } # ── GE-L3: Reasoning evaluation ────────────────────────────────────────── GE_L3_JUDGE_PROMPT = ( "You are evaluating a scientific explanation for why a gene is " "NON-ESSENTIAL in a specific cancer cell line.\n\n" "GENE-CELL LINE CONTEXT:\n{context_text}\n\n" "RESPONSE TO EVALUATE:\n{response_text}\n\n" "Score the response on 4 dimensions (1-5 each):\n" "1. biological_plausibility: Are biological reasons (gene function, " "pathway role, tissue context) scientifically sound?\n" "2. pathway_reasoning: Does the explanation address pathway redundancy, " "compensatory mechanisms, or lineage-specific dispensability?\n" "3. context_specificity: Are claims specific to this gene in this cell " "line/lineage or generic?\n" "4. mechanistic_depth: Are multiple relevant factors considered " "(expression, copy number, mutation status, tissue of origin)?\n\n" 'Return ONLY a JSON object: {{"biological_plausibility": N, ' '"pathway_reasoning": N, "context_specificity": N, "mechanistic_depth": N}}' ) def parse_ge_l3_judge_scores(raw: str) -> dict[str, float] | None: """Parse judge model scores for GE-L3 reasoning evaluation. Expected format (from judge prompt): biological_plausibility: 4 pathway_reasoning: 3 context_specificity: 5 mechanistic_depth: 4 """ if not raw: return None dimensions = [ "biological_plausibility", "pathway_reasoning", "context_specificity", "mechanistic_depth", ] scores = {} for dim in dimensions: pattern = rf"{dim}\s*[:=]\s*(\d(?:\.\d)?)" m = re.search(pattern, raw, re.IGNORECASE) if m: scores[dim] = float(m.group(1)) # Also try JSON format (with or without markdown code fence) if not scores: json_str = raw m = re.search(r"```(?:json)?\s*([\s\S]*?)```", raw) if m: json_str = m.group(1).strip() try: data = json.loads(json_str) if isinstance(data, dict): for dim in dimensions: if dim in data: scores[dim] = float(data[dim]) except (json.JSONDecodeError, TypeError, ValueError): pass return scores if scores else None def evaluate_ge_l3( judge_outputs: list[str], ) -> dict: """Compute GE-L3 metrics from judge model outputs.""" dimensions = [ "biological_plausibility", "pathway_reasoning", "context_specificity", "mechanistic_depth", ] all_scores: dict[str, list[float]] = {d: [] for d in dimensions} n_parsed = 0 for output in judge_outputs: scores = parse_ge_l3_judge_scores(output) if scores is None: continue n_parsed += 1 for dim in dimensions: if dim in scores: all_scores[dim].append(scores[dim]) result: dict = {"n_parsed": n_parsed, "n_total": len(judge_outputs)} for dim in dimensions: vals = all_scores[dim] result[f"{dim}_mean"] = float(np.mean(vals)) if vals else 0.0 result[f"{dim}_std"] = float(np.std(vals)) if vals else 0.0 # Overall mean all_vals = [v for vals in all_scores.values() for v in vals] result["overall_mean"] = float(np.mean(all_vals)) if all_vals else 0.0 result["overall_std"] = float(np.std(all_vals)) if all_vals else 0.0 return result # ── GE-L4: Tested/Untested discrimination ──────────────────────────────── def parse_ge_l4_answer(raw: str) -> str | None: """Extract 'tested' or 'untested' from GE-L4 response.""" if not raw: return None if raw.startswith("ERROR:"): return None raw = raw.strip().lower() first_line = raw.split("\n")[0].strip() if first_line in _L4_VALID: return first_line # Search for keywords if "untested" in first_line: return "untested" if "tested" in first_line: return "tested" # Try full text if "untested" in raw: return "untested" if "tested" in raw: return "tested" return None def evaluate_ge_l4( predictions: list[str], gold_labels: list[str], ) -> dict: """Compute GE-L4 metrics: accuracy, MCC, temporal contamination gap.""" from sklearn.metrics import accuracy_score, matthews_corrcoef parsed = [parse_ge_l4_answer(p) for p in predictions] valid_mask = [p is not None for p in parsed] n_valid = sum(valid_mask) n_total = len(predictions) if n_valid == 0: return { "accuracy": 0.0, "mcc": 0.0, "valid_rate": 0.0, "n_valid": 0, "n_total": n_total, } y_pred = [p for p, v in zip(parsed, valid_mask) if v] y_true = [g for g, v in zip(gold_labels, valid_mask) if v] return { "accuracy": accuracy_score(y_true, y_pred), "mcc": matthews_corrcoef(y_true, y_pred), "valid_rate": n_valid / n_total, "n_valid": n_valid, "n_total": n_total, "prediction_distribution": dict(Counter(y_pred)), "gold_distribution": dict(Counter(y_true)), } # ── Dispatch ────────────────────────────────────────────────────────────── def compute_all_ge_llm_metrics( task: str, predictions: list[str], gold_data: list, ) -> dict: """Dispatch to task-specific evaluator. Args: task: 'ge-l1', 'ge-l2', 'ge-l3', or 'ge-l4' predictions: Raw LLM responses gold_data: Gold labels/extractions/judge outputs — may be either plain values (str/dict) or full record dicts with a 'gold_answer' or 'gold_extraction' key. Returns: Metrics dict """ # Normalise gold_data: if records are dicts with dataset keys, extract # the relevant field for each task. def _extract(records, field): if records and isinstance(records[0], dict) and field in records[0]: return [r.get(field) for r in records] return records if task == "ge-l1": return evaluate_ge_l1(predictions, _extract(gold_data, "gold_answer")) elif task == "ge-l2": return evaluate_ge_l2(predictions, _extract(gold_data, "gold_extraction")) elif task == "ge-l3": return evaluate_ge_l3(predictions) elif task == "ge-l4": return evaluate_ge_l4(predictions, _extract(gold_data, "gold_answer")) else: raise ValueError(f"Unknown task: {task}")