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| #!/usr/bin/env python3 | |
| """ | |
| Tool-calling LLM agent evaluation for pathway_analysis_env. | |
| Runs a tool-calling LLM agent over ``data/eval_manifest.json``. The agent is | |
| given the pathway tools and decides which to call and when to submit_answer. | |
| Writes JSON + Markdown reports. | |
| Free providers (no credit card): | |
| Groq: export GROQ_API_KEY=... (https://console.groq.com) | |
| OpenRouter: export OPENROUTER_API_KEY=... (model openrouter/free) | |
| Ollama: ollama serve && ollama pull llama3.1:8b (--provider ollama) | |
| Usage: | |
| export GROQ_API_KEY=... | |
| export MPLCONFIGDIR=/tmp/mpl | |
| PYTHONPATH=src:envs uv run python envs/pathway_analysis_env/scripts/run_llm_agent_eval.py | |
| """ | |
| from __future__ import annotations | |
| import argparse | |
| import asyncio | |
| import json | |
| import os | |
| import time | |
| import traceback | |
| from dataclasses import dataclass, field | |
| from datetime import datetime, timezone | |
| from pathlib import Path | |
| from typing import Any, Dict, List, Optional, Tuple | |
| from pathway_analysis_env.agent_openai_tools import ( | |
| OPENAI_TOOLS, | |
| observation_to_tool_result_content, | |
| tool_call_to_pathway_action, | |
| ) | |
| from pathway_analysis_env.server.analysis import gseapy_available, pydeseq2_available | |
| from pathway_analysis_env.server.pathway_environment import DATA_DIR, PathwayEnvironment | |
| DEFAULT_SYSTEM_PROMPT = """You are a computational biologist agent operating a pathway analysis environment. | |
| Required workflow (eval mode): | |
| 1. understand_experiment_design and/or inspect_dataset — learn groups and sample layout. | |
| 2. run_differential_expression — set reference (baseline) vs alternate (treatment) conditions. | |
| 3. run_pathway_enrichment — ORA on DE genes (do not pass a custom gene_list). | |
| 4. Optionally compare_pathways between two top pathway names. | |
| 5. submit_answer — one pathway hypothesis string supported by ORA. | |
| Rules: | |
| - Never guess without running DE and ORA first. | |
| - Use condition names exactly as returned in available_conditions. | |
| - For submit_answer, name a specific pathway (e.g. from top_pathways), not a long essay. | |
| """ | |
| MINIMAL_SYSTEM_PROMPT = """Run pathway workflow: design/inspect → DE (reference vs alternate) → ORA → submit_answer with one pathway from ORA. Use exact condition names.""" | |
| # OpenAI-compatible providers (Groq is free — no credit card). | |
| LLM_PROVIDERS: Dict[str, Dict[str, Any]] = { | |
| "groq": { | |
| "api_key_env": "GROQ_API_KEY", | |
| "base_url": "https://api.groq.com/openai/v1", | |
| "default_models": ["llama-3.3-70b-versatile"], | |
| }, | |
| "openrouter": { | |
| "api_key_env": "OPENROUTER_API_KEY", | |
| "base_url": "https://openrouter.ai/api/v1", | |
| "default_models": ["openrouter/free"], | |
| }, | |
| "openai": { | |
| "api_key_env": "OPENAI_API_KEY", | |
| "base_url": None, | |
| "default_models": ["gpt-4o-mini", "gpt-4o"], | |
| }, | |
| "ollama": { | |
| "api_key_env": None, | |
| "base_url": "http://127.0.0.1:11434/v1", | |
| "default_models": ["llama3.1:8b"], | |
| }, | |
| } | |
| class LLMProvider: | |
| name: str | |
| api_key: str | |
| base_url: Optional[str] | |
| default_models: List[str] | |
| class EpisodeResult: | |
| agent_id: str | |
| model: str | |
| episode_id: str | |
| case_file: str | |
| passed: bool | |
| score: float | |
| steps: int | |
| turns: int | |
| wall_time_s: float | |
| done: bool | |
| hypothesis: Optional[str] = None | |
| match_mode: Optional[str] = None | |
| failure_code: Optional[str] = None | |
| action_trace: List[str] = field(default_factory=list) | |
| error: Optional[str] = None | |
| skipped: bool = False | |
| skip_reason: Optional[str] = None | |
| def to_dict(self) -> Dict[str, Any]: | |
| return { | |
| "agent_id": self.agent_id, | |
| "model": self.model, | |
| "episode_id": self.episode_id, | |
| "case_file": self.case_file, | |
| "passed": self.passed, | |
| "score": self.score, | |
| "steps": self.steps, | |
| "turns": self.turns, | |
| "wall_time_s": round(self.wall_time_s, 2), | |
| "done": self.done, | |
| "hypothesis": self.hypothesis, | |
| "match_mode": self.match_mode, | |
| "failure_code": self.failure_code, | |
| "action_trace": self.action_trace, | |
| "error": self.error, | |
| "skipped": self.skipped, | |
| "skip_reason": self.skip_reason, | |
| } | |
| def _load_dotenv() -> None: | |
| root = Path(__file__).resolve().parents[3] | |
| env_path = root / ".env" | |
| if not env_path.is_file(): | |
| return | |
| for line in env_path.read_text(encoding="utf-8").splitlines(): | |
| line = line.strip() | |
| if not line or line.startswith("#") or "=" not in line: | |
| continue | |
| key, _, val = line.partition("=") | |
| key, val = key.strip(), val.strip().strip('"').strip("'") | |
| if key and val and key not in os.environ: | |
| os.environ[key] = val | |
| def _ollama_reachable() -> bool: | |
| try: | |
| import urllib.request | |
| with urllib.request.urlopen( | |
| "http://127.0.0.1:11434/api/tags", timeout=1.5 | |
| ) as resp: | |
| return resp.status == 200 | |
| except Exception: | |
| return False | |
| def resolve_llm_provider(explicit: str = "auto") -> Optional[LLMProvider]: | |
| """Pick an LLM backend from env vars or an explicit --provider flag.""" | |
| order = ["groq", "openrouter", "openai", "ollama"] | |
| names = [explicit] if explicit != "auto" else order | |
| for name in names: | |
| if name not in LLM_PROVIDERS: | |
| raise SystemExit( | |
| f"Unknown provider {name!r}. Choose: auto, {', '.join(order)}" | |
| ) | |
| spec = LLM_PROVIDERS[name] | |
| key_env = spec.get("api_key_env") | |
| if key_env: | |
| api_key = os.environ.get(key_env, "") | |
| if not api_key: | |
| continue | |
| elif name == "ollama": | |
| if not _ollama_reachable(): | |
| continue | |
| api_key = "ollama" | |
| else: | |
| continue | |
| return LLMProvider( | |
| name=name, | |
| api_key=api_key, | |
| base_url=spec.get("base_url"), | |
| default_models=list(spec["default_models"]), | |
| ) | |
| return None | |
| def make_llm_client(provider: LLMProvider): | |
| from openai import AsyncOpenAI | |
| kwargs: Dict[str, Any] = {"api_key": provider.api_key} | |
| if provider.base_url: | |
| kwargs["base_url"] = provider.base_url | |
| return AsyncOpenAI(**kwargs) | |
| def _episode_skipped(spec: Dict[str, Any]) -> Optional[str]: | |
| if spec.get("requires_pydeseq2") and not pydeseq2_available(): | |
| return "pydeseq2_unavailable" | |
| if spec.get("requires_gseapy") and not gseapy_available(): | |
| return "gseapy_unavailable" | |
| return None | |
| def _skipped_result( | |
| agent_id: str, model: str, spec: Dict[str, Any], reason: str | |
| ) -> EpisodeResult: | |
| return EpisodeResult( | |
| agent_id=agent_id, | |
| model=model, | |
| episode_id=spec["id"], | |
| case_file=spec["case_file"], | |
| passed=False, | |
| score=0.0, | |
| steps=0, | |
| turns=0, | |
| wall_time_s=0.0, | |
| done=False, | |
| skipped=True, | |
| skip_reason=reason, | |
| ) | |
| def _retry_after_seconds(exc: Exception) -> Optional[float]: | |
| """Parse a provider 'try again in Xs' hint from a rate-limit error.""" | |
| import re | |
| text = str(exc) | |
| m = re.search(r"try again in\s*(?:(\d+)m)?\s*([\d.]+)s", text) | |
| if not m: | |
| return None | |
| minutes = float(m.group(1)) if m.group(1) else 0.0 | |
| seconds = float(m.group(2)) if m.group(2) else 0.0 | |
| return minutes * 60.0 + seconds | |
| def _supports_temperature_override(model: str) -> bool: | |
| """Some models (e.g. gpt-5) only support default temperature.""" | |
| return not model.startswith("gpt-5") | |
| async def _chat_with_retry( | |
| client, | |
| *, | |
| model: str, | |
| messages: List[Dict[str, Any]], | |
| max_retries: int, | |
| ): | |
| """Call chat.completions with backoff on rate limits / transient errors. | |
| Honors the provider's "try again in Xs" hint when present; otherwise uses | |
| exponential backoff. Tool-use parser hiccups (Groq ``tool_use_failed``) are | |
| also retried since they are non-deterministic. | |
| """ | |
| attempt = 0 | |
| tool_hiccups = 0 | |
| while True: | |
| # Base call is deterministic (T=0). On a provider tool-call parser | |
| # failure, nudge temperature up so retries are not identical (and thus | |
| # not guaranteed to fail the same way). | |
| temperature = min(0.2 * tool_hiccups, 0.8) | |
| try: | |
| kwargs: Dict[str, Any] = { | |
| "model": model, | |
| "messages": messages, | |
| "tools": OPENAI_TOOLS, | |
| "tool_choice": "auto", | |
| } | |
| if _supports_temperature_override(model): | |
| kwargs["temperature"] = temperature | |
| return await client.chat.completions.create(**kwargs) | |
| except Exception as exc: # noqa: BLE001 - provider-agnostic retry | |
| text = str(exc) | |
| is_rate_limit = "429" in text or "rate_limit" in text.lower() | |
| is_tool_hiccup = "tool_use_failed" in text | |
| if attempt >= max_retries or not (is_rate_limit or is_tool_hiccup): | |
| raise | |
| if is_tool_hiccup: | |
| tool_hiccups += 1 | |
| hinted = _retry_after_seconds(exc) if is_rate_limit else None | |
| if hinted is not None: | |
| delay = hinted + 1.0 # cushion past the rate-limit window | |
| elif is_tool_hiccup: | |
| delay = 1.0 # parser hiccup: retry quickly with new temperature | |
| else: | |
| delay = min(2.0 * (2**attempt), 60.0) | |
| print( | |
| f" retry {attempt + 1}/{max_retries} after " | |
| f"{'rate limit' if is_rate_limit else 'tool_use_failed'} " | |
| f"(sleeping {delay:.1f}s, temp->{min(0.2 * tool_hiccups, 0.8):.1f})...", | |
| flush=True, | |
| ) | |
| await asyncio.sleep(delay) | |
| attempt += 1 | |
| async def run_llm_episode( | |
| *, | |
| agent_id: str, | |
| model: str, | |
| case_file: str, | |
| episode_id: str, | |
| system_prompt: str, | |
| max_turns: int, | |
| strict: bool, | |
| provider: LLMProvider, | |
| max_retries: int = 6, | |
| ) -> EpisodeResult: | |
| t0 = time.perf_counter() | |
| action_trace: List[str] = [] | |
| client = make_llm_client(provider) | |
| env = PathwayEnvironment(case_file=case_file) | |
| try: | |
| obs = env.reset(orchestrator_mode=True, strict=strict) | |
| messages: List[Dict[str, Any]] = [ | |
| {"role": "system", "content": system_prompt}, | |
| { | |
| "role": "user", | |
| "content": ( | |
| f"Episode {episode_id}. Case: {case_file}. " | |
| f"Conditions: {obs.available_conditions}. {obs.message}" | |
| ), | |
| }, | |
| ] | |
| last_failure: Optional[str] = None | |
| turn = 0 | |
| for turn in range(max_turns): | |
| response = await _chat_with_retry( | |
| client, | |
| model=model, | |
| messages=messages, | |
| max_retries=max_retries, | |
| ) | |
| msg = response.choices[0].message | |
| if not msg.tool_calls: | |
| messages.append({"role": "assistant", "content": msg.content or ""}) | |
| if env.state.is_done: | |
| break | |
| continue | |
| # Reconstruct a clean assistant message with only fields that | |
| # OpenAI-compatible providers universally accept. The OpenAI SDK | |
| # adds extra fields (e.g. ``annotations``) that strict providers | |
| # such as Groq reject with a 400 error on the next request. | |
| messages.append( | |
| { | |
| "role": "assistant", | |
| "content": msg.content or "", | |
| "tool_calls": [ | |
| { | |
| "id": tc.id, | |
| "type": "function", | |
| "function": { | |
| "name": tc.function.name, | |
| "arguments": tc.function.arguments, | |
| }, | |
| } | |
| for tc in msg.tool_calls | |
| ], | |
| } | |
| ) | |
| for tc in msg.tool_calls: | |
| action = tool_call_to_pathway_action( | |
| name=tc.function.name, | |
| arguments_json=tc.function.arguments, | |
| ) | |
| action_trace.append(action.action_type) | |
| step_obs = env.step(action) | |
| meta = step_obs.metadata or {} | |
| if meta.get("failure_code"): | |
| last_failure = str(meta["failure_code"]) | |
| messages.append( | |
| { | |
| "role": "tool", | |
| "tool_call_id": tc.id, | |
| "content": observation_to_tool_result_content(step_obs), | |
| } | |
| ) | |
| if step_obs.done: | |
| break | |
| if env.state.is_done: | |
| break | |
| outcome = env.episode_outcome or {} | |
| return EpisodeResult( | |
| agent_id=agent_id, | |
| model=model, | |
| episode_id=episode_id, | |
| case_file=case_file, | |
| passed=bool(outcome.get("correct")), | |
| score=float(outcome.get("score") or 0.0), | |
| steps=env.state.step_count, | |
| turns=turn + 1, | |
| wall_time_s=time.perf_counter() - t0, | |
| done=env.state.is_done, | |
| hypothesis=outcome.get("hypothesis"), | |
| match_mode=outcome.get("match_mode"), | |
| failure_code=last_failure if not outcome.get("correct") else None, | |
| action_trace=action_trace, | |
| ) | |
| except Exception as exc: | |
| return EpisodeResult( | |
| agent_id=agent_id, | |
| model=model, | |
| episode_id=episode_id, | |
| case_file=case_file, | |
| passed=False, | |
| score=0.0, | |
| steps=0, | |
| turns=0, | |
| wall_time_s=time.perf_counter() - t0, | |
| done=False, | |
| error=f"{type(exc).__name__}: {exc}", | |
| action_trace=action_trace, | |
| ) | |
| def aggregate(results: List[EpisodeResult]) -> Dict[str, Any]: | |
| by_agent: Dict[str, List[EpisodeResult]] = {} | |
| for r in results: | |
| by_agent.setdefault(r.agent_id, []).append(r) | |
| agents_summary = [] | |
| for agent_id, rows in sorted(by_agent.items()): | |
| run_rows = [x for x in rows if not x.skipped] | |
| passed = sum(1 for x in run_rows if x.passed) | |
| agents_summary.append( | |
| { | |
| "agent_id": agent_id, | |
| "model": rows[0].model if rows else "", | |
| "episodes_run": len(run_rows), | |
| "episodes_passed": passed, | |
| "pass_rate": passed / len(run_rows) if run_rows else 0.0, | |
| "avg_score": ( | |
| sum(x.score for x in run_rows) / len(run_rows) if run_rows else 0.0 | |
| ), | |
| "avg_steps": ( | |
| sum(x.steps for x in run_rows) / len(run_rows) if run_rows else 0.0 | |
| ), | |
| "avg_wall_time_s": ( | |
| sum(x.wall_time_s for x in run_rows) / len(run_rows) | |
| if run_rows | |
| else 0.0 | |
| ), | |
| } | |
| ) | |
| return {"agents": agents_summary} | |
| def write_markdown_report(summary: Dict[str, Any], path: Path) -> None: | |
| lines = [ | |
| "# Pathway Agent Evaluation Report", | |
| "", | |
| f"Generated: {summary.get('generated_at', '')}", | |
| "", | |
| "## Eval plan", | |
| "", | |
| summary.get("eval_plan", ""), | |
| "", | |
| "## Leaderboard", | |
| "", | |
| "| Agent | Model | Pass rate | Avg score | Avg steps | Avg time (s) |", | |
| "|-------|-------|-----------|-----------|-----------|--------------|", | |
| ] | |
| for a in summary.get("aggregate", {}).get("agents", []): | |
| lines.append( | |
| f"| {a['agent_id']} | {a['model']} | {a['pass_rate']:.0%} " | |
| f"({a['episodes_passed']}/{a['episodes_run']}) | {a['avg_score']:.2f} | " | |
| f"{a['avg_steps']:.1f} | {a['avg_wall_time_s']:.1f} |" | |
| ) | |
| lines.extend(["", "## Per-episode results", ""]) | |
| for r in summary.get("results", []): | |
| status = "SKIP" if r.get("skipped") else ("PASS" if r.get("passed") else "FAIL") | |
| lines.append( | |
| f"- **{status}** `{r.get('agent_id')}` / `{r.get('episode_id')}` " | |
| f"— score={r.get('score')} steps={r.get('steps')} " | |
| f"hypothesis={r.get('hypothesis')!r} " | |
| f"failure={r.get('failure_code') or r.get('error') or '—'}" | |
| ) | |
| path.write_text("\n".join(lines) + "\n", encoding="utf-8") | |
| async def main_async( | |
| args: argparse.Namespace, | |
| ) -> Tuple[Dict[str, Any], Optional[LLMProvider]]: | |
| manifest = json.loads(args.manifest.read_text(encoding="utf-8")) | |
| episodes = manifest.get("episodes", []) | |
| provider = resolve_llm_provider(args.provider) | |
| models = [m.strip() for m in args.models.split(",") if m.strip()] | |
| if not models and provider: | |
| models = list(provider.default_models) | |
| eval_plan = ( | |
| "Tool-calling LLM agent at T=0 over the manifest episodes " | |
| "(provider: Groq/OpenRouter/OpenAI/Ollama). The agent is given the " | |
| "pathway tools and decides which to call and when to submit_answer. " | |
| "Metrics: pass rate, avg score, steps, wall time, action trace, failure codes." | |
| ) | |
| results: List[EpisodeResult] = [] | |
| if provider is None: | |
| print( | |
| "No LLM API key found — cannot run the agent.\n" | |
| " Free option: export GROQ_API_KEY=... (sign up at https://console.groq.com)\n" | |
| " Or: ollama serve && --provider ollama\n" | |
| " Or add GROQ_API_KEY to repo-root .env", | |
| flush=True, | |
| ) | |
| else: | |
| print(f"LLM provider: {provider.name} models: {', '.join(models)}", flush=True) | |
| prompt_variants = [("llm_default", DEFAULT_SYSTEM_PROMPT)] | |
| if args.prompt_ablation: | |
| prompt_variants.append(("llm_minimal", MINIMAL_SYSTEM_PROMPT)) | |
| for model in models: | |
| for prompt_name, prompt_text in prompt_variants: | |
| agent_id = f"{prompt_name}__{model.replace('/', '_').replace(':', '_')}" | |
| for spec in episodes: | |
| skip = _episode_skipped(spec) | |
| if skip: | |
| results.append(_skipped_result(agent_id, model, spec, skip)) | |
| continue | |
| print(f"Running {agent_id} on {spec['id']}...", flush=True) | |
| r = await run_llm_episode( | |
| agent_id=agent_id, | |
| model=model, | |
| case_file=spec["case_file"], | |
| episode_id=spec["id"], | |
| system_prompt=prompt_text, | |
| max_turns=args.max_turns, | |
| strict=args.strict, | |
| provider=provider, | |
| max_retries=args.max_retries, | |
| ) | |
| results.append(r) | |
| print( | |
| f" -> {'PASS' if r.passed else 'FAIL'} score={r.score} steps={r.steps}", | |
| flush=True, | |
| ) | |
| summary = { | |
| "generated_at": datetime.now(timezone.utc).isoformat(), | |
| "eval_plan": eval_plan, | |
| "manifest": str(args.manifest), | |
| "llm_provider": provider.name if provider else None, | |
| "models": models if provider else [], | |
| "aggregate": aggregate(results), | |
| "results": [r.to_dict() for r in results], | |
| } | |
| return summary, provider | |
| def main() -> None: | |
| parser = argparse.ArgumentParser( | |
| description="Tool-calling LLM agent eval for pathway env" | |
| ) | |
| parser.add_argument( | |
| "--manifest", type=Path, default=DATA_DIR / "eval_manifest.json" | |
| ) | |
| parser.add_argument( | |
| "--provider", | |
| default="auto", | |
| choices=["auto", "groq", "openrouter", "openai", "ollama"], | |
| help="LLM backend (auto tries Groq, OpenRouter, OpenAI, then Ollama)", | |
| ) | |
| parser.add_argument( | |
| "--models", | |
| default="", | |
| help="Comma-separated model IDs (defaults per provider if omitted)", | |
| ) | |
| parser.add_argument("--max-turns", type=int, default=20) | |
| parser.add_argument( | |
| "--max-retries", | |
| type=int, | |
| default=6, | |
| help="Retries per LLM call on rate-limit / transient tool errors", | |
| ) | |
| parser.add_argument("--strict", action="store_true") | |
| parser.add_argument("--prompt-ablation", action="store_true") | |
| parser.add_argument( | |
| "--json-out", | |
| type=Path, | |
| default=Path("envs/pathway_analysis_env/outputs/llm_eval/latest.json"), | |
| ) | |
| parser.add_argument( | |
| "--md-out", | |
| type=Path, | |
| default=Path("envs/pathway_analysis_env/outputs/llm_eval/latest.md"), | |
| ) | |
| args = parser.parse_args() | |
| _load_dotenv() | |
| try: | |
| summary, _provider = asyncio.run(main_async(args)) | |
| except Exception: | |
| traceback.print_exc() | |
| raise | |
| args.json_out.parent.mkdir(parents=True, exist_ok=True) | |
| args.json_out.write_text(json.dumps(summary, indent=2) + "\n", encoding="utf-8") | |
| write_markdown_report(summary, args.md_out) | |
| print(f"\nWrote {args.json_out}") | |
| print(f"Wrote {args.md_out}") | |
| print("\nLeaderboard:") | |
| for a in summary["aggregate"]["agents"]: | |
| print( | |
| f" {a['agent_id']:40s} pass={a['pass_rate']:.0%} " | |
| f"avg_score={a['avg_score']:.2f} avg_steps={a['avg_steps']:.1f}" | |
| ) | |
| if __name__ == "__main__": | |
| main() | |