docs(plan): Day-7 implementation plan — drift, traceability, agents
Browse files8 task-level checkpoints (T1A model stats, T1B API drift, T1C UI drift,
T2 MLflow badge, T3A LLM explainer, T3B /explain/bbb, T3C AI Assistant
tab, T4 close-out) → 165 → 175 green. TDD discipline (RED → GREEN) for
every test-bearing task. Self-review pass clean: spec coverage 100%,
no placeholders, type names consistent across tasks.
Co-Authored-By: Claude Opus 4.7 (1M context) <noreply@anthropic.com>
docs/superpowers/plans/2026-05-05-day7-drift-traceability-agents.md
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| 1 |
+
# Day 7 — The Final 5% (Drift, Traceability & Agents) Implementation Plan
|
| 2 |
+
|
| 3 |
+
> **For agentic workers:** REQUIRED SUB-SKILL: Use `superpowers:subagent-driven-development` (recommended) or `superpowers:executing-plans` to implement this plan task-by-task. Steps use checkbox (`- [ ]`) syntax for tracking.
|
| 4 |
+
|
| 5 |
+
**Goal:** Close the "Adapt Over Time" gap and add a Track-1 "AI Lab Agents" surface (chat-style explainer) without breaking the 165-test green floor. Test target: **165 → 175 passed** (+10 new tests).
|
| 6 |
+
|
| 7 |
+
**Architecture:** Drift = train-time stats baked into `model._neurobridge_train_stats` + module-level `collections.deque(maxlen=100)` per FastAPI worker. LLM explainer = thin abstraction (`src/llm/explainer.py`) with deterministic-template fallback and OpenRouter (via `openai==1.51.0` SDK) hybrid. Hard kill-switch: `NEUROBRIDGE_DISABLE_LLM=1` forces template path. Spec source of truth: [docs/superpowers/specs/2026-05-05-day7-drift-traceability-agents-design.md](docs/superpowers/specs/2026-05-05-day7-drift-traceability-agents-design.md) (commit `09dd9c3`).
|
| 8 |
+
|
| 9 |
+
**Tech Stack:** Python 3.12 · sklearn 1.5.1 (existing) · FastAPI + Pydantic (existing) · Streamlit + altair (existing) · MLflow 2.16.0 (existing) · **`openai==1.51.0` (NEW pip dep)**.
|
| 10 |
+
|
| 11 |
+
---
|
| 12 |
+
|
| 13 |
+
## File Structure
|
| 14 |
+
|
| 15 |
+
```
|
| 16 |
+
src/
|
| 17 |
+
├── models/
|
| 18 |
+
│ └── bbb_model.py # MODIFY — T1A: stash _neurobridge_train_stats
|
| 19 |
+
├── api/
|
| 20 |
+
│ ├── schemas.py # MODIFY — T1B: drift_z + rolling_n; T2: ModelProvenance; T3B: BBBExplainRequest/Response
|
| 21 |
+
│ └── routes.py # MODIFY — T1B: deque + drift helper; T2: provenance lookup; T3B: explain_router + /explain/bbb
|
| 22 |
+
├── llm/ # NEW dir
|
| 23 |
+
│ ├── __init__.py # CREATE
|
| 24 |
+
│ └── explainer.py # CREATE — T3A: explain() public API + template + openrouter
|
| 25 |
+
└── frontend/
|
| 26 |
+
└── app.py # MODIFY — T1C: drift line; T2: provenance badge; T3C: AI Assistant tab
|
| 27 |
+
|
| 28 |
+
tests/
|
| 29 |
+
├── models/
|
| 30 |
+
│ └── test_bbb_model.py # MODIFY — T1A: TestTrainStatsMetadata (+2)
|
| 31 |
+
├── api/
|
| 32 |
+
│ └── test_routes.py # MODIFY — T1B: extend TestBBBPredictRoute (+2); T2: extend with provenance (+1); T3B: TestExplainBBBRoute (+1)
|
| 33 |
+
└── llm/ # NEW dir
|
| 34 |
+
├── __init__.py # CREATE
|
| 35 |
+
└── test_explainer.py # CREATE — T3A: TestTemplateExplain (+4)
|
| 36 |
+
|
| 37 |
+
requirements.txt # MODIFY — add openai==1.51.0
|
| 38 |
+
AGENTS.md # MODIFY — T4: §10 Drift Surface, §11 LLM Explainer Surface
|
| 39 |
+
README.md # MODIFY — T4: Day 7 row + curl recipe
|
| 40 |
+
```
|
| 41 |
+
|
| 42 |
+
**Test count growth:** 2 (T1A) + 2 (T1B drift) + 1 (T2 provenance) + 4 (T3A template) + 1 (T3B route) = **+10 → 175 passed**.
|
| 43 |
+
|
| 44 |
+
---
|
| 45 |
+
|
| 46 |
+
## Pre-Flight Verification
|
| 47 |
+
|
| 48 |
+
- [ ] **Step 0: Confirm clean baseline**
|
| 49 |
+
|
| 50 |
+
```bash
|
| 51 |
+
cd /Users/mertgungor/Desktop/hackathon
|
| 52 |
+
source .venv312/bin/activate
|
| 53 |
+
git status # Expect: clean tree on main
|
| 54 |
+
git log --oneline -1 # Expect: 09dd9c3 docs(spec): Day-7 final-5% design …
|
| 55 |
+
pytest -q 2>&1 | tail -3 # Expect: 165 passed
|
| 56 |
+
```
|
| 57 |
+
|
| 58 |
+
If any of these fail, STOP and resolve before proceeding.
|
| 59 |
+
|
| 60 |
+
---
|
| 61 |
+
|
| 62 |
+
## Task 1A — Train-Time Stats Metadata
|
| 63 |
+
|
| 64 |
+
**Why:** Drift z-score requires a frozen "training distribution" reference (median + std of the model's own confidence on the train set). We bake this into the joblib artifact alongside the existing `_neurobridge_calibration` and `_neurobridge_fp_cols` so it survives save/load.
|
| 65 |
+
|
| 66 |
+
**Files:**
|
| 67 |
+
- Modify: `src/models/bbb_model.py`
|
| 68 |
+
- Modify: `tests/models/test_bbb_model.py`
|
| 69 |
+
|
| 70 |
+
### Step 1: Write the 2 failing tests (RED)
|
| 71 |
+
|
| 72 |
+
- [ ] Append a new `TestTrainStatsMetadata` class at the end of `/Users/mertgungor/Desktop/hackathon/tests/models/test_bbb_model.py` (after `TestCalibrationMetadata`):
|
| 73 |
+
|
| 74 |
+
```python
|
| 75 |
+
class TestTrainStatsMetadata:
|
| 76 |
+
"""Day 7 — T1A: train()-time confidence distribution stash."""
|
| 77 |
+
|
| 78 |
+
def test_train_attaches_train_stats_attribute(self, trained_model_and_features):
|
| 79 |
+
model, _ = trained_model_and_features
|
| 80 |
+
assert hasattr(model, "_neurobridge_train_stats")
|
| 81 |
+
stats = model._neurobridge_train_stats
|
| 82 |
+
assert isinstance(stats, dict)
|
| 83 |
+
for key in ("median", "std", "n_train"):
|
| 84 |
+
assert key in stats, f"missing key {key!r} in train stats"
|
| 85 |
+
assert 0.0 <= stats["median"] <= 1.0
|
| 86 |
+
assert stats["std"] >= 0.0
|
| 87 |
+
assert stats["n_train"] >= 1
|
| 88 |
+
|
| 89 |
+
def test_train_stats_survives_save_load_roundtrip(
|
| 90 |
+
self, trained_model_and_features, tmp_path: Path,
|
| 91 |
+
):
|
| 92 |
+
from src.models import bbb_model
|
| 93 |
+
model, _ = trained_model_and_features
|
| 94 |
+
path = tmp_path / "m.joblib"
|
| 95 |
+
bbb_model.save(model, path)
|
| 96 |
+
reloaded = bbb_model.load(path)
|
| 97 |
+
assert hasattr(reloaded, "_neurobridge_train_stats")
|
| 98 |
+
assert reloaded._neurobridge_train_stats == model._neurobridge_train_stats
|
| 99 |
+
```
|
| 100 |
+
|
| 101 |
+
### Step 2: Run the new tests — verify RED
|
| 102 |
+
|
| 103 |
+
- [ ] Run only these tests:
|
| 104 |
+
|
| 105 |
+
```bash
|
| 106 |
+
pytest tests/models/test_bbb_model.py::TestTrainStatsMetadata -v
|
| 107 |
+
```
|
| 108 |
+
Expected: **2 failed** with `AssertionError: hasattr(model, '_neurobridge_train_stats')` (or similar). If they pass, STOP — the attribute already exists somewhere unexpected.
|
| 109 |
+
|
| 110 |
+
### Step 3: Implement `_compute_train_stats` and wire into `train()` (GREEN)
|
| 111 |
+
|
| 112 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/src/models/bbb_model.py`. Add this private helper immediately above `def train(`:
|
| 113 |
+
|
| 114 |
+
```python
|
| 115 |
+
def _compute_train_stats(
|
| 116 |
+
model: RandomForestClassifier,
|
| 117 |
+
X_train: np.ndarray,
|
| 118 |
+
) -> dict[str, float]:
|
| 119 |
+
"""Compute median + std of the model's own confidence on the training set.
|
| 120 |
+
|
| 121 |
+
Used as the reference distribution for runtime drift detection. All values
|
| 122 |
+
are floats so the dict is joblib-roundtrip-safe and JSON-serializable.
|
| 123 |
+
"""
|
| 124 |
+
if len(X_train) == 0:
|
| 125 |
+
return {"median": 0.0, "std": 0.0, "n_train": 0}
|
| 126 |
+
proba = model.predict_proba(X_train)
|
| 127 |
+
confidence = proba.max(axis=1)
|
| 128 |
+
return {
|
| 129 |
+
"median": float(np.median(confidence)),
|
| 130 |
+
"std": float(np.std(confidence)),
|
| 131 |
+
"n_train": int(len(X_train)),
|
| 132 |
+
}
|
| 133 |
+
```
|
| 134 |
+
|
| 135 |
+
- [ ] In `train()`, immediately after the existing line `model._neurobridge_calibration = _compute_calibration_bins(model, X_test, y_test)`, add:
|
| 136 |
+
|
| 137 |
+
```python
|
| 138 |
+
model._neurobridge_train_stats = _compute_train_stats(model, X_train)
|
| 139 |
+
```
|
| 140 |
+
|
| 141 |
+
- [ ] Update the existing `logger.info(...)` line at the end of `train()` to also surface the train-stats summary:
|
| 142 |
+
|
| 143 |
+
Replace:
|
| 144 |
+
```python
|
| 145 |
+
logger.info(
|
| 146 |
+
"Trained BBB classifier: n=%d, n_features=%d, classes=%s, "
|
| 147 |
+
"calibration_bins=%d",
|
| 148 |
+
len(y), X.shape[1], model.classes_.tolist(),
|
| 149 |
+
len(model._neurobridge_calibration),
|
| 150 |
+
)
|
| 151 |
+
```
|
| 152 |
+
With:
|
| 153 |
+
```python
|
| 154 |
+
logger.info(
|
| 155 |
+
"Trained BBB classifier: n=%d, n_features=%d, classes=%s, "
|
| 156 |
+
"calibration_bins=%d, train_confidence_median=%.3f",
|
| 157 |
+
len(y), X.shape[1], model.classes_.tolist(),
|
| 158 |
+
len(model._neurobridge_calibration),
|
| 159 |
+
model._neurobridge_train_stats["median"],
|
| 160 |
+
)
|
| 161 |
+
```
|
| 162 |
+
|
| 163 |
+
### Step 4: Run the new tests — verify GREEN
|
| 164 |
+
|
| 165 |
+
- [ ] Run:
|
| 166 |
+
|
| 167 |
+
```bash
|
| 168 |
+
pytest tests/models/test_bbb_model.py::TestTrainStatsMetadata -v
|
| 169 |
+
```
|
| 170 |
+
Expected: **2 passed**.
|
| 171 |
+
|
| 172 |
+
### Step 5: Run the full suite — verify no regression
|
| 173 |
+
|
| 174 |
+
- [ ] Run:
|
| 175 |
+
|
| 176 |
+
```bash
|
| 177 |
+
pytest -q 2>&1 | tail -3
|
| 178 |
+
```
|
| 179 |
+
Expected: **167 passed** (165 + 2 new).
|
| 180 |
+
|
| 181 |
+
If any pre-existing test fails, the prime suspect is a model-equality assert that now fails because `_neurobridge_train_stats` was added. Read the failure; if it's a `model == reloaded_model` style check, update the assertion to `model._neurobridge_fp_cols == reloaded._neurobridge_fp_cols and model._neurobridge_calibration == reloaded._neurobridge_calibration and model._neurobridge_train_stats == reloaded._neurobridge_train_stats`. **Do not weaken assertions; expand them.**
|
| 182 |
+
|
| 183 |
+
### Step 6: Commit T1A
|
| 184 |
+
|
| 185 |
+
- [ ] Run:
|
| 186 |
+
|
| 187 |
+
```bash
|
| 188 |
+
git add src/models/bbb_model.py tests/models/test_bbb_model.py
|
| 189 |
+
git commit -m "$(cat <<'EOF'
|
| 190 |
+
feat(models): train-time confidence stats stashed on _neurobridge_train_stats
|
| 191 |
+
|
| 192 |
+
- _compute_train_stats() captures median, std, n_train of the model's
|
| 193 |
+
own predict_proba on X_train. Joblib-roundtrip-safe.
|
| 194 |
+
- train() persists stats alongside _neurobridge_fp_cols and
|
| 195 |
+
_neurobridge_calibration. INFO log line now surfaces the median.
|
| 196 |
+
- Foundation for Day-7 T1B drift z-score in /predict/bbb.
|
| 197 |
+
- 2 new tests (TestTrainStatsMetadata): attribute presence + roundtrip.
|
| 198 |
+
|
| 199 |
+
Co-Authored-By: Claude Opus 4.7 (1M context) <noreply@anthropic.com>
|
| 200 |
+
EOF
|
| 201 |
+
)"
|
| 202 |
+
```
|
| 203 |
+
|
| 204 |
+
---
|
| 205 |
+
|
| 206 |
+
## Task 1B — Drift z-score in /predict/bbb
|
| 207 |
+
|
| 208 |
+
**Why:** Surface "Adapt Over Time" to the jury. Each prediction's confidence is appended to a per-worker `deque(maxlen=100)`. When ≥10 samples are buffered, we compute a z-score against the train-time median. The number flows through the API response into the UI (T1C) and the LLM explainer (T3A).
|
| 209 |
+
|
| 210 |
+
**Files:**
|
| 211 |
+
- Modify: `src/api/schemas.py`
|
| 212 |
+
- Modify: `src/api/routes.py`
|
| 213 |
+
- Modify: `tests/api/test_routes.py`
|
| 214 |
+
|
| 215 |
+
### Step 1: Extend `BBBPredictResponse` schema
|
| 216 |
+
|
| 217 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/src/api/schemas.py`. Find the `BBBPredictResponse` class (it currently has `label`, `label_text`, `confidence`, `top_features`, `calibration`). Add two new optional fields:
|
| 218 |
+
|
| 219 |
+
```python
|
| 220 |
+
class BBBPredictResponse(BaseModel):
|
| 221 |
+
"""Decision-system payload: prediction + uncertainty + explanation + drift."""
|
| 222 |
+
label: int
|
| 223 |
+
label_text: str = Field(..., description="'permeable' or 'non-permeable'")
|
| 224 |
+
confidence: float
|
| 225 |
+
top_features: list[FeatureAttribution]
|
| 226 |
+
calibration: CalibrationContext | None = None
|
| 227 |
+
drift_z: float | None = Field(
|
| 228 |
+
None,
|
| 229 |
+
description=(
|
| 230 |
+
"Z-score of the trailing-100 confidence median against the "
|
| 231 |
+
"train-time median; None when warming up (<10 samples) or "
|
| 232 |
+
"when the model lacks _neurobridge_train_stats."
|
| 233 |
+
),
|
| 234 |
+
)
|
| 235 |
+
rolling_n: int = Field(
|
| 236 |
+
0,
|
| 237 |
+
description=(
|
| 238 |
+
"Number of confidence samples currently buffered in the worker's "
|
| 239 |
+
"rolling window (max 100). Zero on a fresh worker."
|
| 240 |
+
),
|
| 241 |
+
)
|
| 242 |
+
```
|
| 243 |
+
|
| 244 |
+
### Step 2: Write the 2 failing tests (RED)
|
| 245 |
+
|
| 246 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/tests/api/test_routes.py`. Find the `TestBBBPredictRoute` class. Add two NEW test methods inside that class (place them after the existing `test_returns_200_with_prediction_and_attributions`):
|
| 247 |
+
|
| 248 |
+
```python
|
| 249 |
+
def test_predict_response_includes_drift_z_and_rolling_n(
|
| 250 |
+
self, _set_bbb_model_path,
|
| 251 |
+
):
|
| 252 |
+
"""T1B: drift_z and rolling_n keys must always appear in the body."""
|
| 253 |
+
# Reset deque before this test so rolling_n starts deterministic.
|
| 254 |
+
from src.api import routes
|
| 255 |
+
routes.WORKER_CONFIDENCE_DEQUE.clear()
|
| 256 |
+
|
| 257 |
+
resp = client.post("/predict/bbb", json={"smiles": "CCO", "top_k": 5})
|
| 258 |
+
assert resp.status_code == 200, resp.text
|
| 259 |
+
body = resp.json()
|
| 260 |
+
assert "drift_z" in body
|
| 261 |
+
assert "rolling_n" in body
|
| 262 |
+
# First request: buffer has 1 sample (just appended), so warming up.
|
| 263 |
+
assert body["rolling_n"] == 1
|
| 264 |
+
assert body["drift_z"] is None # <10 samples = warming up
|
| 265 |
+
|
| 266 |
+
def test_predict_deque_rolls_at_100(self, _set_bbb_model_path):
|
| 267 |
+
"""T1B: after 100 predictions, deque caps at maxlen=100 (rolls)."""
|
| 268 |
+
from src.api import routes
|
| 269 |
+
routes.WORKER_CONFIDENCE_DEQUE.clear()
|
| 270 |
+
# Fire 105 calls; final rolling_n must be 100, not 105.
|
| 271 |
+
last_body = None
|
| 272 |
+
for _ in range(105):
|
| 273 |
+
resp = client.post(
|
| 274 |
+
"/predict/bbb", json={"smiles": "CCO", "top_k": 3},
|
| 275 |
+
)
|
| 276 |
+
assert resp.status_code == 200
|
| 277 |
+
last_body = resp.json()
|
| 278 |
+
assert last_body["rolling_n"] == 100
|
| 279 |
+
# By call 105, drift_z is computable (≥10 samples) — assert numeric.
|
| 280 |
+
assert isinstance(last_body["drift_z"], float)
|
| 281 |
+
```
|
| 282 |
+
|
| 283 |
+
### Step 3: Run the new tests — verify RED
|
| 284 |
+
|
| 285 |
+
- [ ] Run:
|
| 286 |
+
|
| 287 |
+
```bash
|
| 288 |
+
pytest tests/api/test_routes.py::TestBBBPredictRoute::test_predict_response_includes_drift_z_and_rolling_n -v
|
| 289 |
+
pytest tests/api/test_routes.py::TestBBBPredictRoute::test_predict_deque_rolls_at_100 -v
|
| 290 |
+
```
|
| 291 |
+
Expected: both **FAIL** — the deque doesn't exist yet (`AttributeError: module 'src.api.routes' has no attribute 'WORKER_CONFIDENCE_DEQUE'`).
|
| 292 |
+
|
| 293 |
+
### Step 4: Implement deque + drift helper + wire into `predict_bbb` (GREEN)
|
| 294 |
+
|
| 295 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/src/api/routes.py`. Add `from collections import deque` to the imports (alphabetical order):
|
| 296 |
+
|
| 297 |
+
```python
|
| 298 |
+
from collections import deque
|
| 299 |
+
```
|
| 300 |
+
|
| 301 |
+
- [ ] Just below the `_DEFAULT_BBB_MODEL_PATH = Path(...)` line (after the `_bbb_model_path()` helper), add the module-level deque + helper:
|
| 302 |
+
|
| 303 |
+
```python
|
| 304 |
+
# Per-worker rolling window of recent prediction confidences.
|
| 305 |
+
# Cleared on worker restart; multi-worker setups have independent windows.
|
| 306 |
+
WORKER_CONFIDENCE_DEQUE: deque[float] = deque(maxlen=100)
|
| 307 |
+
_DRIFT_MIN_SAMPLES = 10
|
| 308 |
+
|
| 309 |
+
|
| 310 |
+
def _compute_drift_z(model, confidence: float) -> tuple[float | None, int]:
|
| 311 |
+
"""Append `confidence` to the worker deque and compute the drift z-score.
|
| 312 |
+
|
| 313 |
+
Returns (drift_z, rolling_n). drift_z is None until both:
|
| 314 |
+
(1) the deque has at least `_DRIFT_MIN_SAMPLES` samples, AND
|
| 315 |
+
(2) the model has `_neurobridge_train_stats` attached.
|
| 316 |
+
|
| 317 |
+
z = (rolling_median - train_median) / max(train_std, 1e-9)
|
| 318 |
+
"""
|
| 319 |
+
import statistics
|
| 320 |
+
|
| 321 |
+
WORKER_CONFIDENCE_DEQUE.append(float(confidence))
|
| 322 |
+
rolling_n = len(WORKER_CONFIDENCE_DEQUE)
|
| 323 |
+
stats = getattr(model, "_neurobridge_train_stats", None)
|
| 324 |
+
if rolling_n < _DRIFT_MIN_SAMPLES or stats is None:
|
| 325 |
+
return None, rolling_n
|
| 326 |
+
rolling_median = statistics.median(WORKER_CONFIDENCE_DEQUE)
|
| 327 |
+
train_median = float(stats["median"])
|
| 328 |
+
train_std = max(float(stats["std"]), 1e-9)
|
| 329 |
+
drift_z = (rolling_median - train_median) / train_std
|
| 330 |
+
return float(drift_z), rolling_n
|
| 331 |
+
```
|
| 332 |
+
|
| 333 |
+
- [ ] In `predict_bbb()`, immediately before the `return BBBPredictResponse(...)` block, compute drift:
|
| 334 |
+
|
| 335 |
+
```python
|
| 336 |
+
drift_z, rolling_n = _compute_drift_z(model, pred["confidence"])
|
| 337 |
+
```
|
| 338 |
+
|
| 339 |
+
- [ ] Update the `return BBBPredictResponse(...)` to pass the new fields:
|
| 340 |
+
|
| 341 |
+
```python
|
| 342 |
+
return BBBPredictResponse(
|
| 343 |
+
label=pred["label"],
|
| 344 |
+
label_text=label_text,
|
| 345 |
+
confidence=pred["confidence"],
|
| 346 |
+
top_features=[FeatureAttribution(**a) for a in attributions],
|
| 347 |
+
calibration=calibration,
|
| 348 |
+
drift_z=drift_z,
|
| 349 |
+
rolling_n=rolling_n,
|
| 350 |
+
)
|
| 351 |
+
```
|
| 352 |
+
|
| 353 |
+
### Step 5: Run the new tests — verify GREEN
|
| 354 |
+
|
| 355 |
+
- [ ] Run:
|
| 356 |
+
|
| 357 |
+
```bash
|
| 358 |
+
pytest tests/api/test_routes.py::TestBBBPredictRoute -v
|
| 359 |
+
```
|
| 360 |
+
Expected: **all TestBBBPredictRoute tests pass** (including the 2 new ones, totalling whatever was there before + 2 = currently 3 + 2 = 5 in this class).
|
| 361 |
+
|
| 362 |
+
### Step 6: Run the full suite — verify no regression
|
| 363 |
+
|
| 364 |
+
- [ ] Run:
|
| 365 |
+
|
| 366 |
+
```bash
|
| 367 |
+
pytest -q 2>&1 | tail -3
|
| 368 |
+
```
|
| 369 |
+
Expected: **169 passed** (167 + 2 new).
|
| 370 |
+
|
| 371 |
+
### Step 7: Commit T1B
|
| 372 |
+
|
| 373 |
+
- [ ] Run:
|
| 374 |
+
|
| 375 |
+
```bash
|
| 376 |
+
git add src/api/schemas.py src/api/routes.py tests/api/test_routes.py
|
| 377 |
+
git commit -m "$(cat <<'EOF'
|
| 378 |
+
feat(api): drift z-score in /predict/bbb response
|
| 379 |
+
|
| 380 |
+
- WORKER_CONFIDENCE_DEQUE: collections.deque(maxlen=100), per-worker
|
| 381 |
+
rolling window of confidences; drift_z computed against train-time
|
| 382 |
+
median when ≥10 samples buffered AND model has _neurobridge_train_stats.
|
| 383 |
+
- BBBPredictResponse gains drift_z (float | None) and rolling_n (int).
|
| 384 |
+
- 2 new tests: drift_z/rolling_n always present in body; deque rolls
|
| 385 |
+
at 100 after 105 predictions.
|
| 386 |
+
|
| 387 |
+
Co-Authored-By: Claude Opus 4.7 (1M context) <noreply@anthropic.com>
|
| 388 |
+
EOF
|
| 389 |
+
)"
|
| 390 |
+
```
|
| 391 |
+
|
| 392 |
+
---
|
| 393 |
+
|
| 394 |
+
## Task 1C — Streamlit Drift Metric Line
|
| 395 |
+
|
| 396 |
+
**Why:** Without a UI surface, the drift signal is invisible to the jury. Render a one-line caption between the calibration caption and the SHAP section in `_render_prediction_card`.
|
| 397 |
+
|
| 398 |
+
**Files:**
|
| 399 |
+
- Modify: `src/frontend/app.py`
|
| 400 |
+
|
| 401 |
+
No new tests — UI wiring covered by the existing 2 import-smoke tests. Frontend test floor stays at 2.
|
| 402 |
+
|
| 403 |
+
### Step 1: Locate `_render_prediction_card`
|
| 404 |
+
|
| 405 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/src/frontend/app.py`. Find `_render_prediction_card(result)`. The function currently renders (in order): label badge → confidence progress → calibration caption → SHAP section. Drift goes between calibration and SHAP.
|
| 406 |
+
|
| 407 |
+
### Step 2: Add the drift line block
|
| 408 |
+
|
| 409 |
+
- [ ] Inside `_render_prediction_card`, immediately AFTER the existing calibration caption block (the `if calibration is not None:` / `elif calibration is not None:` block) and BEFORE the SHAP section header (the `st.markdown("**Top {n_features} SHAP attributions**" …)` or equivalent), insert:
|
| 410 |
+
|
| 411 |
+
```python
|
| 412 |
+
drift_z = result.get("drift_z")
|
| 413 |
+
rolling_n = result.get("rolling_n", 0)
|
| 414 |
+
if drift_z is None and rolling_n < 10:
|
| 415 |
+
st.caption(
|
| 416 |
+
f"📈 Drift: warming up ({rolling_n}/10 predictions buffered)."
|
| 417 |
+
)
|
| 418 |
+
elif drift_z is None:
|
| 419 |
+
st.caption(
|
| 420 |
+
"📈 Drift: unavailable (model lacks train-time confidence stats)."
|
| 421 |
+
)
|
| 422 |
+
else:
|
| 423 |
+
# Sign + magnitude: |z| < 1 in-band, 1–2 mild, >=2 significant.
|
| 424 |
+
if abs(drift_z) < 1.0:
|
| 425 |
+
tag = "within expected range"
|
| 426 |
+
elif abs(drift_z) < 2.0:
|
| 427 |
+
tag = "mild distribution shift"
|
| 428 |
+
else:
|
| 429 |
+
tag = "significant shift — retrain recommended"
|
| 430 |
+
st.caption(
|
| 431 |
+
f"📈 Drift: trailing-{rolling_n} confidence median is "
|
| 432 |
+
f"**{drift_z:+.2f}σ** from train-time distribution ({tag})."
|
| 433 |
+
)
|
| 434 |
+
```
|
| 435 |
+
|
| 436 |
+
### Step 3: Persist the last prediction in session state
|
| 437 |
+
|
| 438 |
+
- [ ] Inside `_render_prediction_card`, at the very TOP of the function body (before any other call), add:
|
| 439 |
+
|
| 440 |
+
```python
|
| 441 |
+
st.session_state["last_bbb_prediction"] = result
|
| 442 |
+
```
|
| 443 |
+
|
| 444 |
+
This unlocks the AI Assistant tab in T3C — the tab can read `st.session_state["last_bbb_prediction"]` to populate its question form.
|
| 445 |
+
|
| 446 |
+
### Step 4: Smoke test
|
| 447 |
+
|
| 448 |
+
- [ ] Verify import + Streamlit boot:
|
| 449 |
+
|
| 450 |
+
```bash
|
| 451 |
+
pytest tests/frontend/ -v
|
| 452 |
+
```
|
| 453 |
+
Expected: **2 passed**.
|
| 454 |
+
|
| 455 |
+
```bash
|
| 456 |
+
streamlit run src/frontend/app.py --server.headless true --server.port 8530 &
|
| 457 |
+
STREAMLIT_PID=$!
|
| 458 |
+
sleep 6
|
| 459 |
+
curl -s -o /dev/null -w "%{http_code}\n" http://localhost:8530
|
| 460 |
+
kill $STREAMLIT_PID 2>/dev/null
|
| 461 |
+
sleep 1
|
| 462 |
+
```
|
| 463 |
+
Expected: HTTP `200`.
|
| 464 |
+
|
| 465 |
+
### Step 5: Full suite — verify no regression
|
| 466 |
+
|
| 467 |
+
- [ ] Run:
|
| 468 |
+
|
| 469 |
+
```bash
|
| 470 |
+
pytest -q 2>&1 | tail -3
|
| 471 |
+
```
|
| 472 |
+
Expected: **169 passed** (no count change from T1B; UI-only).
|
| 473 |
+
|
| 474 |
+
### Step 6: Commit T1C
|
| 475 |
+
|
| 476 |
+
- [ ] Run:
|
| 477 |
+
|
| 478 |
+
```bash
|
| 479 |
+
git add src/frontend/app.py
|
| 480 |
+
git commit -m "$(cat <<'EOF'
|
| 481 |
+
feat(frontend): drift metric line + last-prediction session state
|
| 482 |
+
|
| 483 |
+
- Renders one-line drift caption between the calibration caption and
|
| 484 |
+
the SHAP section. Three states: warming up (<10 samples), unavailable
|
| 485 |
+
(no train stats), drift z-score with magnitude tag (in-band / mild /
|
| 486 |
+
significant).
|
| 487 |
+
- Stashes /predict/bbb response in st.session_state["last_bbb_prediction"]
|
| 488 |
+
so the Day-7 T3C AI Assistant tab can pick it up.
|
| 489 |
+
- No backend / schema / test count changes.
|
| 490 |
+
|
| 491 |
+
Co-Authored-By: Claude Opus 4.7 (1M context) <noreply@anthropic.com>
|
| 492 |
+
EOF
|
| 493 |
+
)"
|
| 494 |
+
```
|
| 495 |
+
|
| 496 |
+
---
|
| 497 |
+
|
| 498 |
+
## Task 2 — MLflow Traceability Badge
|
| 499 |
+
|
| 500 |
+
**Why:** Spec §3.2. Jurors should be able to point at a decision card and ask "which exact training run produced this?". One smoke test on the API (the `provenance` field appears in the body), one badge in the UI.
|
| 501 |
+
|
| 502 |
+
**Files:**
|
| 503 |
+
- Modify: `src/api/schemas.py`
|
| 504 |
+
- Modify: `src/api/routes.py`
|
| 505 |
+
- Modify: `src/frontend/app.py`
|
| 506 |
+
- Modify: `tests/api/test_routes.py`
|
| 507 |
+
|
| 508 |
+
### Step 1: Add `ModelProvenance` schema
|
| 509 |
+
|
| 510 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/src/api/schemas.py`. Append (above `BBBPredictResponse` so the type is in scope when referenced):
|
| 511 |
+
|
| 512 |
+
Find the line `class BBBPredictResponse(BaseModel):` and add this class IMMEDIATELY ABOVE it:
|
| 513 |
+
|
| 514 |
+
```python
|
| 515 |
+
class ModelProvenance(BaseModel):
|
| 516 |
+
"""Auditable provenance of the BBB model that produced a prediction."""
|
| 517 |
+
mlflow_run_id: str | None = Field(None, description="MLflow run id of the most recent training run, if any")
|
| 518 |
+
model_version: str = Field("v1", description="Manually-bumped model version label")
|
| 519 |
+
train_date: str | None = Field(None, description="ISO 8601 train timestamp from MLflow run start_time")
|
| 520 |
+
n_examples: int | None = Field(None, description="Training set size (from model._neurobridge_train_stats[\"n_train\"])")
|
| 521 |
+
```
|
| 522 |
+
|
| 523 |
+
- [ ] Modify `BBBPredictResponse` to add a `provenance` field at the end:
|
| 524 |
+
|
| 525 |
+
```python
|
| 526 |
+
provenance: ModelProvenance | None = Field(
|
| 527 |
+
None,
|
| 528 |
+
description="Auditing metadata (MLflow run id, train date, n_examples).",
|
| 529 |
+
)
|
| 530 |
+
```
|
| 531 |
+
|
| 532 |
+
### Step 2: Write the failing test (RED)
|
| 533 |
+
|
| 534 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/tests/api/test_routes.py`. Inside `TestBBBPredictRoute`, append:
|
| 535 |
+
|
| 536 |
+
```python
|
| 537 |
+
def test_predict_response_includes_provenance(self, _set_bbb_model_path):
|
| 538 |
+
"""T2: provenance field is present in body (fields may be None)."""
|
| 539 |
+
from src.api import routes
|
| 540 |
+
routes.WORKER_CONFIDENCE_DEQUE.clear()
|
| 541 |
+
|
| 542 |
+
resp = client.post("/predict/bbb", json={"smiles": "CCO", "top_k": 3})
|
| 543 |
+
assert resp.status_code == 200, resp.text
|
| 544 |
+
body = resp.json()
|
| 545 |
+
assert "provenance" in body
|
| 546 |
+
assert body["provenance"] is not None, "provenance should be populated even when MLflow is empty"
|
| 547 |
+
prov = body["provenance"]
|
| 548 |
+
assert "mlflow_run_id" in prov
|
| 549 |
+
assert "model_version" in prov
|
| 550 |
+
assert prov["model_version"] == "v1" # default until bumped manually
|
| 551 |
+
assert "train_date" in prov
|
| 552 |
+
assert "n_examples" in prov
|
| 553 |
+
# n_examples comes from train_stats — must be a positive int for the test fixture
|
| 554 |
+
assert isinstance(prov["n_examples"], int) and prov["n_examples"] >= 1
|
| 555 |
+
```
|
| 556 |
+
|
| 557 |
+
### Step 3: Run the test — verify RED
|
| 558 |
+
|
| 559 |
+
- [ ] Run:
|
| 560 |
+
|
| 561 |
+
```bash
|
| 562 |
+
pytest tests/api/test_routes.py::TestBBBPredictRoute::test_predict_response_includes_provenance -v
|
| 563 |
+
```
|
| 564 |
+
Expected: **FAIL** — `assert "provenance" in body` fails because no route populates it yet.
|
| 565 |
+
|
| 566 |
+
### Step 4: Implement provenance lookup + cache (GREEN)
|
| 567 |
+
|
| 568 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/src/api/routes.py`. Add the schema import:
|
| 569 |
+
|
| 570 |
+
```python
|
| 571 |
+
from src.api.schemas import (
|
| 572 |
+
BBBPredictRequest,
|
| 573 |
+
BBBPredictResponse,
|
| 574 |
+
BBBRequest,
|
| 575 |
+
CalibrationContext,
|
| 576 |
+
EEGRequest,
|
| 577 |
+
FeatureAttribution,
|
| 578 |
+
HarmonizationRow,
|
| 579 |
+
ModelProvenance, # NEW
|
| 580 |
+
MRIDiagnosticsRequest,
|
| 581 |
+
MRIDiagnosticsResponse,
|
| 582 |
+
MRIRequest,
|
| 583 |
+
PipelineResponse,
|
| 584 |
+
)
|
| 585 |
+
```
|
| 586 |
+
|
| 587 |
+
- [ ] Below the `_compute_drift_z` helper, add a provenance lookup helper. The cache is module-level so MLflow is queried once per worker:
|
| 588 |
+
|
| 589 |
+
```python
|
| 590 |
+
_PROVENANCE_CACHE: ModelProvenance | None = None
|
| 591 |
+
_MODEL_VERSION = "v1" # bump manually per train cycle
|
| 592 |
+
|
| 593 |
+
|
| 594 |
+
def _build_provenance(model) -> ModelProvenance:
|
| 595 |
+
"""Look up the most recent BBB MLflow run; build a ModelProvenance.
|
| 596 |
+
|
| 597 |
+
Cached at module level so we hit MLflow once per worker. Failures (no
|
| 598 |
+
runs found, MLflow unreachable, NEUROBRIDGE_DISABLE_MLFLOW=1) all
|
| 599 |
+
degrade to a partial ModelProvenance with mlflow_run_id=None — the
|
| 600 |
+
badge still renders, just without a run id.
|
| 601 |
+
"""
|
| 602 |
+
global _PROVENANCE_CACHE
|
| 603 |
+
if _PROVENANCE_CACHE is not None:
|
| 604 |
+
# Refresh n_examples each call from the model (cheap lookup).
|
| 605 |
+
n_train = None
|
| 606 |
+
stats = getattr(model, "_neurobridge_train_stats", None)
|
| 607 |
+
if stats is not None:
|
| 608 |
+
n_train = int(stats.get("n_train", 0)) or None
|
| 609 |
+
return _PROVENANCE_CACHE.model_copy(update={"n_examples": n_train})
|
| 610 |
+
|
| 611 |
+
run_id: str | None = None
|
| 612 |
+
train_date: str | None = None
|
| 613 |
+
if os.environ.get("NEUROBRIDGE_DISABLE_MLFLOW") != "1":
|
| 614 |
+
try:
|
| 615 |
+
runs = mlflow.search_runs(
|
| 616 |
+
experiment_names=["bbb_pipeline"],
|
| 617 |
+
max_results=1,
|
| 618 |
+
order_by=["start_time DESC"],
|
| 619 |
+
)
|
| 620 |
+
if len(runs):
|
| 621 |
+
row = runs.iloc[0]
|
| 622 |
+
run_id = str(row["run_id"])
|
| 623 |
+
ts = row.get("start_time")
|
| 624 |
+
if ts is not None:
|
| 625 |
+
train_date = str(pd.Timestamp(ts).isoformat())
|
| 626 |
+
except Exception as e: # broad: MLflow store unreachable, schema mismatch, etc.
|
| 627 |
+
logger.warning("MLflow provenance lookup failed: %s", e)
|
| 628 |
+
|
| 629 |
+
n_train = None
|
| 630 |
+
stats = getattr(model, "_neurobridge_train_stats", None)
|
| 631 |
+
if stats is not None:
|
| 632 |
+
n_train = int(stats.get("n_train", 0)) or None
|
| 633 |
+
|
| 634 |
+
_PROVENANCE_CACHE = ModelProvenance(
|
| 635 |
+
mlflow_run_id=run_id,
|
| 636 |
+
model_version=_MODEL_VERSION,
|
| 637 |
+
train_date=train_date,
|
| 638 |
+
n_examples=n_train,
|
| 639 |
+
)
|
| 640 |
+
return _PROVENANCE_CACHE
|
| 641 |
+
```
|
| 642 |
+
|
| 643 |
+
- [ ] In `predict_bbb()`, immediately after `drift_z, rolling_n = _compute_drift_z(...)`, add:
|
| 644 |
+
|
| 645 |
+
```python
|
| 646 |
+
provenance = _build_provenance(model)
|
| 647 |
+
```
|
| 648 |
+
|
| 649 |
+
- [ ] Update the `return BBBPredictResponse(...)` to pass `provenance=provenance`:
|
| 650 |
+
|
| 651 |
+
```python
|
| 652 |
+
return BBBPredictResponse(
|
| 653 |
+
label=pred["label"],
|
| 654 |
+
label_text=label_text,
|
| 655 |
+
confidence=pred["confidence"],
|
| 656 |
+
top_features=[FeatureAttribution(**a) for a in attributions],
|
| 657 |
+
calibration=calibration,
|
| 658 |
+
drift_z=drift_z,
|
| 659 |
+
rolling_n=rolling_n,
|
| 660 |
+
provenance=provenance,
|
| 661 |
+
)
|
| 662 |
+
```
|
| 663 |
+
|
| 664 |
+
### Step 5: Run the test — verify GREEN
|
| 665 |
+
|
| 666 |
+
- [ ] Run:
|
| 667 |
+
|
| 668 |
+
```bash
|
| 669 |
+
pytest tests/api/test_routes.py::TestBBBPredictRoute::test_predict_response_includes_provenance -v
|
| 670 |
+
```
|
| 671 |
+
Expected: **PASS**.
|
| 672 |
+
|
| 673 |
+
### Step 6: Render badge in Streamlit decision card
|
| 674 |
+
|
| 675 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/src/frontend/app.py`. In `_render_prediction_card`, immediately after the line `st.session_state["last_bbb_prediction"] = result` (added in T1C Step 3) and BEFORE the existing label badge, add:
|
| 676 |
+
|
| 677 |
+
```python
|
| 678 |
+
provenance = result.get("provenance")
|
| 679 |
+
if provenance is not None:
|
| 680 |
+
run_id = provenance.get("mlflow_run_id")
|
| 681 |
+
run_label = run_id[:8] if run_id else "—"
|
| 682 |
+
train_date = provenance.get("train_date") or "—"
|
| 683 |
+
n_examples = provenance.get("n_examples")
|
| 684 |
+
n_label = f"n={n_examples}" if n_examples else "n=—"
|
| 685 |
+
st.caption(
|
| 686 |
+
f"🔎 MLflow run **{run_label}** · "
|
| 687 |
+
f"Model **{provenance.get('model_version', 'v1')}** · "
|
| 688 |
+
f"trained {train_date} · {n_label}"
|
| 689 |
+
)
|
| 690 |
+
```
|
| 691 |
+
|
| 692 |
+
### Step 7: Full suite — verify no regression
|
| 693 |
+
|
| 694 |
+
- [ ] Run:
|
| 695 |
+
|
| 696 |
+
```bash
|
| 697 |
+
pytest -q 2>&1 | tail -3
|
| 698 |
+
```
|
| 699 |
+
Expected: **170 passed** (169 + 1 new).
|
| 700 |
+
|
| 701 |
+
### Step 8: Streamlit smoke
|
| 702 |
+
|
| 703 |
+
- [ ] Run:
|
| 704 |
+
|
| 705 |
+
```bash
|
| 706 |
+
streamlit run src/frontend/app.py --server.headless true --server.port 8531 &
|
| 707 |
+
STREAMLIT_PID=$!
|
| 708 |
+
sleep 6
|
| 709 |
+
curl -s -o /dev/null -w "%{http_code}\n" http://localhost:8531
|
| 710 |
+
kill $STREAMLIT_PID 2>/dev/null
|
| 711 |
+
sleep 1
|
| 712 |
+
```
|
| 713 |
+
Expected: HTTP `200`.
|
| 714 |
+
|
| 715 |
+
### Step 9: Commit T2
|
| 716 |
+
|
| 717 |
+
- [ ] Run:
|
| 718 |
+
|
| 719 |
+
```bash
|
| 720 |
+
git add src/api/schemas.py src/api/routes.py src/frontend/app.py tests/api/test_routes.py
|
| 721 |
+
git commit -m "$(cat <<'EOF'
|
| 722 |
+
feat(api+frontend): MLflow provenance badge in decision card
|
| 723 |
+
|
| 724 |
+
- ModelProvenance schema (mlflow_run_id, model_version, train_date,
|
| 725 |
+
n_examples). BBBPredictResponse.provenance is always populated; failed
|
| 726 |
+
MLflow lookup degrades to None fields without breaking the response.
|
| 727 |
+
- _build_provenance() module-level cache: one MLflow query per worker.
|
| 728 |
+
NEUROBRIDGE_DISABLE_MLFLOW=1 short-circuits to None fields. n_examples
|
| 729 |
+
pulled per-request from model._neurobridge_train_stats.
|
| 730 |
+
- Streamlit decision card renders a one-line audit badge above the
|
| 731 |
+
label: run id (first 8 chars), model version, train date, n_examples.
|
| 732 |
+
- 1 new test: provenance field present in /predict/bbb body with the
|
| 733 |
+
fixture model (n_examples ≥ 1 from train stats).
|
| 734 |
+
|
| 735 |
+
Co-Authored-By: Claude Opus 4.7 (1M context) <noreply@anthropic.com>
|
| 736 |
+
EOF
|
| 737 |
+
)"
|
| 738 |
+
```
|
| 739 |
+
|
| 740 |
+
---
|
| 741 |
+
|
| 742 |
+
## Task 3A — LLM Explainer (template + OpenRouter)
|
| 743 |
+
|
| 744 |
+
**Why:** This is the heart of the Track-1 "AI Lab Agents" wink. A small, self-contained module that ALWAYS returns a usable rationale: deterministic template for reproducibility, OpenRouter llama-3.2-3b-instruct (free) for the "real agent" demo. Spec §3.3.
|
| 745 |
+
|
| 746 |
+
**Files:**
|
| 747 |
+
- Modify: `requirements.txt`
|
| 748 |
+
- Create: `src/llm/__init__.py`
|
| 749 |
+
- Create: `src/llm/explainer.py`
|
| 750 |
+
- Create: `tests/llm/__init__.py`
|
| 751 |
+
- Create: `tests/llm/test_explainer.py`
|
| 752 |
+
|
| 753 |
+
### Step 1: Add the new pip dep + install
|
| 754 |
+
|
| 755 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/requirements.txt`. Add `openai==1.51.0` in the appropriate alphabetical position (after `nibabel==…` if alphabetical, or at the end if grouped). To match existing style: scan the file with `head` first; if no clear ordering, append at the end with a comment:
|
| 756 |
+
|
| 757 |
+
Append:
|
| 758 |
+
```
|
| 759 |
+
openai==1.51.0 # OpenRouter SDK (Day-7 LLM explainer; deterministic-template fallback always available)
|
| 760 |
+
```
|
| 761 |
+
|
| 762 |
+
- [ ] Install:
|
| 763 |
+
|
| 764 |
+
```bash
|
| 765 |
+
pip install openai==1.51.0
|
| 766 |
+
pip check 2>&1 | tail -5
|
| 767 |
+
```
|
| 768 |
+
Expected: `pip check` reports no incompatibilities. If a conflict appears (e.g. with `httpx==0.27.2`), STOP and resolve before continuing — the spec sealed compatibility.
|
| 769 |
+
|
| 770 |
+
### Step 2: Create `src/llm/__init__.py`
|
| 771 |
+
|
| 772 |
+
- [ ] Run:
|
| 773 |
+
|
| 774 |
+
```bash
|
| 775 |
+
mkdir -p src/llm tests/llm
|
| 776 |
+
```
|
| 777 |
+
|
| 778 |
+
- [ ] Create `/Users/mertgungor/Desktop/hackathon/src/llm/__init__.py` with this exact content:
|
| 779 |
+
|
| 780 |
+
```python
|
| 781 |
+
"""LLM-backed natural-language explainers (Day 7).
|
| 782 |
+
|
| 783 |
+
`explain()` is the ONLY public entry point. It guarantees a non-empty
|
| 784 |
+
rationale every call: tries OpenRouter when available, falls back to a
|
| 785 |
+
deterministic template otherwise. The deterministic path is the source
|
| 786 |
+
of truth for tests; the LLM path is gated behind env config.
|
| 787 |
+
"""
|
| 788 |
+
from src.llm.explainer import ExplainPayload, ExplainResult, explain # noqa: F401
|
| 789 |
+
```
|
| 790 |
+
|
| 791 |
+
### Step 3: Write the 4 failing tests (RED)
|
| 792 |
+
|
| 793 |
+
- [ ] Create `/Users/mertgungor/Desktop/hackathon/tests/llm/__init__.py` (empty):
|
| 794 |
+
|
| 795 |
+
```python
|
| 796 |
+
```
|
| 797 |
+
|
| 798 |
+
- [ ] Create `/Users/mertgungor/Desktop/hackathon/tests/llm/test_explainer.py` with this exact content:
|
| 799 |
+
|
| 800 |
+
```python
|
| 801 |
+
"""Tests for src.llm.explainer.
|
| 802 |
+
|
| 803 |
+
The deterministic template path is exhaustively tested here. The LLM
|
| 804 |
+
path is exercised only by env-gated integration tests in
|
| 805 |
+
test_explainer_integration.py (NOT run in CI by default).
|
| 806 |
+
"""
|
| 807 |
+
from __future__ import annotations
|
| 808 |
+
|
| 809 |
+
import os
|
| 810 |
+
|
| 811 |
+
import pytest
|
| 812 |
+
|
| 813 |
+
from src.llm.explainer import ExplainPayload, explain
|
| 814 |
+
|
| 815 |
+
|
| 816 |
+
def _payload(**overrides) -> ExplainPayload:
|
| 817 |
+
"""Build a representative ExplainPayload; overrides win."""
|
| 818 |
+
base: ExplainPayload = {
|
| 819 |
+
"smiles": "CCO",
|
| 820 |
+
"label": 1,
|
| 821 |
+
"label_text": "permeable",
|
| 822 |
+
"confidence": 0.82,
|
| 823 |
+
"top_features": [
|
| 824 |
+
{"feature": "fp_341", "shap_value": 0.045},
|
| 825 |
+
{"feature": "fp_902", "shap_value": -0.031},
|
| 826 |
+
{"feature": "fp_77", "shap_value": 0.022},
|
| 827 |
+
],
|
| 828 |
+
"calibration": {"threshold": 0.80, "precision": 0.92, "support": 18},
|
| 829 |
+
"drift_z": 0.42,
|
| 830 |
+
"user_question": "Why was this molecule predicted as permeable?",
|
| 831 |
+
}
|
| 832 |
+
base.update(overrides)
|
| 833 |
+
return base
|
| 834 |
+
|
| 835 |
+
|
| 836 |
+
class TestTemplateExplain:
|
| 837 |
+
"""Day-7 T3A: deterministic-template path of the explainer."""
|
| 838 |
+
|
| 839 |
+
def test_template_path_is_deterministic(self, monkeypatch):
|
| 840 |
+
"""Same input → byte-identical rationale string. No randomness."""
|
| 841 |
+
monkeypatch.setenv("NEUROBRIDGE_DISABLE_LLM", "1")
|
| 842 |
+
out_a = explain(_payload())
|
| 843 |
+
out_b = explain(_payload())
|
| 844 |
+
assert out_a["rationale"] == out_b["rationale"]
|
| 845 |
+
assert out_a["source"] == "template"
|
| 846 |
+
assert out_b["source"] == "template"
|
| 847 |
+
assert out_a["model"] is None
|
| 848 |
+
|
| 849 |
+
def test_template_includes_top_feature_names(self, monkeypatch):
|
| 850 |
+
"""Rationale must mention the SHAP features so jurors see attribution."""
|
| 851 |
+
monkeypatch.setenv("NEUROBRIDGE_DISABLE_LLM", "1")
|
| 852 |
+
result = explain(_payload())
|
| 853 |
+
for feat in ("fp_341", "fp_902", "fp_77"):
|
| 854 |
+
assert feat in result["rationale"], (
|
| 855 |
+
f"expected feature {feat!r} in rationale, got {result['rationale']!r}"
|
| 856 |
+
)
|
| 857 |
+
|
| 858 |
+
def test_template_includes_label_text(self, monkeypatch):
|
| 859 |
+
"""The verdict word ('permeable' / 'non-permeable') must appear."""
|
| 860 |
+
monkeypatch.setenv("NEUROBRIDGE_DISABLE_LLM", "1")
|
| 861 |
+
result = explain(_payload(label=0, label_text="non-permeable"))
|
| 862 |
+
assert "non-permeable" in result["rationale"]
|
| 863 |
+
|
| 864 |
+
def test_disable_flag_forces_template_even_with_key_set(self, monkeypatch):
|
| 865 |
+
"""NEUROBRIDGE_DISABLE_LLM=1 wins over OPENROUTER_API_KEY presence."""
|
| 866 |
+
monkeypatch.setenv("NEUROBRIDGE_DISABLE_LLM", "1")
|
| 867 |
+
monkeypatch.setenv("OPENROUTER_API_KEY", "sk-fake-not-used")
|
| 868 |
+
result = explain(_payload())
|
| 869 |
+
assert result["source"] == "template"
|
| 870 |
+
assert result["model"] is None
|
| 871 |
+
```
|
| 872 |
+
|
| 873 |
+
### Step 4: Run the new tests — verify RED
|
| 874 |
+
|
| 875 |
+
- [ ] Run:
|
| 876 |
+
|
| 877 |
+
```bash
|
| 878 |
+
pytest tests/llm/ -v
|
| 879 |
+
```
|
| 880 |
+
Expected: 4 errors / fails — `ModuleNotFoundError: No module named 'src.llm.explainer'` (file doesn't exist yet). If by some accident the module exists, the tests will fail because `explain` is not implemented.
|
| 881 |
+
|
| 882 |
+
### Step 5: Implement `src/llm/explainer.py` (GREEN)
|
| 883 |
+
|
| 884 |
+
- [ ] Create `/Users/mertgungor/Desktop/hackathon/src/llm/explainer.py` with this exact content:
|
| 885 |
+
|
| 886 |
+
```python
|
| 887 |
+
"""Natural-language rationale for a single BBB prediction.
|
| 888 |
+
|
| 889 |
+
Public entry point: `explain(payload)`. Always returns a usable
|
| 890 |
+
ExplainResult — never raises. Tries OpenRouter first when a key is set
|
| 891 |
+
and the kill-switch is off; falls back to a deterministic template on
|
| 892 |
+
any failure (network, auth, rate limit, malformed response).
|
| 893 |
+
|
| 894 |
+
Test discipline: deterministic template path is the source of truth.
|
| 895 |
+
LLM path is env-gated and exercised by integration tests only.
|
| 896 |
+
"""
|
| 897 |
+
from __future__ import annotations
|
| 898 |
+
|
| 899 |
+
import os
|
| 900 |
+
from typing import Any, TypedDict
|
| 901 |
+
|
| 902 |
+
from src.core.logger import get_logger
|
| 903 |
+
|
| 904 |
+
logger = get_logger(__name__)
|
| 905 |
+
|
| 906 |
+
|
| 907 |
+
class FeatureRow(TypedDict):
|
| 908 |
+
feature: str
|
| 909 |
+
shap_value: float
|
| 910 |
+
|
| 911 |
+
|
| 912 |
+
class CalibrationDict(TypedDict):
|
| 913 |
+
threshold: float
|
| 914 |
+
precision: float
|
| 915 |
+
support: int
|
| 916 |
+
|
| 917 |
+
|
| 918 |
+
class ExplainPayload(TypedDict, total=False):
|
| 919 |
+
smiles: str
|
| 920 |
+
label: int
|
| 921 |
+
label_text: str
|
| 922 |
+
confidence: float
|
| 923 |
+
top_features: list[FeatureRow]
|
| 924 |
+
calibration: CalibrationDict | None
|
| 925 |
+
drift_z: float | None
|
| 926 |
+
user_question: str
|
| 927 |
+
|
| 928 |
+
|
| 929 |
+
class ExplainResult(TypedDict):
|
| 930 |
+
rationale: str
|
| 931 |
+
source: str # "llm" | "template"
|
| 932 |
+
model: str | None # llm model name when source="llm", else None
|
| 933 |
+
|
| 934 |
+
|
| 935 |
+
_OPENROUTER_BASE_URL = "https://openrouter.ai/api/v1"
|
| 936 |
+
_DEFAULT_MODEL = "meta-llama/llama-3.2-3b-instruct:free"
|
| 937 |
+
_LLM_TIMEOUT_SECONDS = 8.0
|
| 938 |
+
_LLM_MAX_TOKENS = 256
|
| 939 |
+
_LLM_TEMPERATURE = 0.3
|
| 940 |
+
|
| 941 |
+
|
| 942 |
+
def _should_use_llm() -> bool:
|
| 943 |
+
"""Gate: env kill-switch off AND key present."""
|
| 944 |
+
if os.environ.get("NEUROBRIDGE_DISABLE_LLM") == "1":
|
| 945 |
+
return False
|
| 946 |
+
if not os.environ.get("OPENROUTER_API_KEY"):
|
| 947 |
+
return False
|
| 948 |
+
return True
|
| 949 |
+
|
| 950 |
+
|
| 951 |
+
def _drift_interpretation(drift_z: float | None) -> str:
|
| 952 |
+
if drift_z is None:
|
| 953 |
+
return "drift unavailable"
|
| 954 |
+
mag = abs(drift_z)
|
| 955 |
+
if mag < 1.0:
|
| 956 |
+
return "within expected range"
|
| 957 |
+
if mag < 2.0:
|
| 958 |
+
return "mild distribution shift"
|
| 959 |
+
return "significant shift, retrain recommended"
|
| 960 |
+
|
| 961 |
+
|
| 962 |
+
def _template_explain(payload: ExplainPayload) -> str:
|
| 963 |
+
"""Deterministic, jury-friendly rationale. Never raises."""
|
| 964 |
+
label_text = payload.get("label_text", "unknown")
|
| 965 |
+
confidence = float(payload.get("confidence", 0.0))
|
| 966 |
+
top_features = payload.get("top_features") or []
|
| 967 |
+
|
| 968 |
+
# Sentence 1
|
| 969 |
+
sentences = [
|
| 970 |
+
f"Predicted **{label_text}** with {confidence * 100:.0f}% confidence."
|
| 971 |
+
]
|
| 972 |
+
|
| 973 |
+
# Sentence 2 (calibration, optional)
|
| 974 |
+
cal = payload.get("calibration")
|
| 975 |
+
if cal is not None:
|
| 976 |
+
thr_pct = float(cal["threshold"]) * 100
|
| 977 |
+
prec_pct = float(cal["precision"]) * 100
|
| 978 |
+
support = int(cal["support"])
|
| 979 |
+
if support > 0:
|
| 980 |
+
sentences.append(
|
| 981 |
+
f"Calibration: predictions in the ≥{thr_pct:.0f}% bin are "
|
| 982 |
+
f"correct {prec_pct:.0f}% of the time on held-out data "
|
| 983 |
+
f"(n={support})."
|
| 984 |
+
)
|
| 985 |
+
|
| 986 |
+
# Sentence 3 (top-3 SHAP features)
|
| 987 |
+
if top_features:
|
| 988 |
+
feat_strs = [
|
| 989 |
+
f"{row['feature']} (Δ{float(row['shap_value']):+.3f})"
|
| 990 |
+
for row in top_features[:3]
|
| 991 |
+
]
|
| 992 |
+
sentences.append(
|
| 993 |
+
f"Top SHAP attributions toward this label: {', '.join(feat_strs)}."
|
| 994 |
+
)
|
| 995 |
+
|
| 996 |
+
# Sentence 4 (drift, optional)
|
| 997 |
+
drift_z = payload.get("drift_z")
|
| 998 |
+
if drift_z is not None:
|
| 999 |
+
interp = _drift_interpretation(drift_z)
|
| 1000 |
+
sentences.append(
|
| 1001 |
+
f"Drift signal: trailing-100 confidence median is "
|
| 1002 |
+
f"{float(drift_z):+.2f}σ from training distribution ({interp})."
|
| 1003 |
+
)
|
| 1004 |
+
|
| 1005 |
+
return " ".join(sentences)
|
| 1006 |
+
|
| 1007 |
+
|
| 1008 |
+
def _build_llm_prompt(payload: ExplainPayload) -> str:
|
| 1009 |
+
"""Format the payload + user question into a single LLM prompt."""
|
| 1010 |
+
top_features = payload.get("top_features") or []
|
| 1011 |
+
top_lines = "\n".join(
|
| 1012 |
+
f" - {row['feature']}: Δ{float(row['shap_value']):+.3f}"
|
| 1013 |
+
for row in top_features[:5]
|
| 1014 |
+
) or " - (none)"
|
| 1015 |
+
drift_z = payload.get("drift_z")
|
| 1016 |
+
drift_str = "n/a" if drift_z is None else f"{float(drift_z):+.2f}"
|
| 1017 |
+
user_q = payload.get("user_question") or (
|
| 1018 |
+
"Explain the prediction in 2-4 sentences."
|
| 1019 |
+
)
|
| 1020 |
+
return (
|
| 1021 |
+
"You are a clinical-ML explainer for a B2B blood-brain-barrier "
|
| 1022 |
+
"permeability tool. Given the prediction details below, write a "
|
| 1023 |
+
"2-4 sentence rationale a researcher could paste into a paper. "
|
| 1024 |
+
"Use the SHAP attributions to justify the verdict. Mention drift "
|
| 1025 |
+
"if abnormal. Avoid hedging; be specific about the numbers.\n\n"
|
| 1026 |
+
f"Prediction:\n"
|
| 1027 |
+
f"- SMILES: {payload.get('smiles', '?')}\n"
|
| 1028 |
+
f"- Verdict: {payload.get('label_text', '?')} "
|
| 1029 |
+
f"({float(payload.get('confidence', 0.0)) * 100:.0f}% confident)\n"
|
| 1030 |
+
f"- Top SHAP features (positive = pushed toward verdict):\n"
|
| 1031 |
+
f"{top_lines}\n"
|
| 1032 |
+
f"- Drift z-score: {drift_str}\n"
|
| 1033 |
+
f"\nUser question: {user_q}\n"
|
| 1034 |
+
f"\nRespond with the rationale only, no preamble."
|
| 1035 |
+
)
|
| 1036 |
+
|
| 1037 |
+
|
| 1038 |
+
def _llm_explain(payload: ExplainPayload) -> tuple[str, str] | None:
|
| 1039 |
+
"""Try the OpenRouter chat completion. Return (rationale, model) or None."""
|
| 1040 |
+
try:
|
| 1041 |
+
# Local import — keeps this dep optional at module load time.
|
| 1042 |
+
from openai import OpenAI
|
| 1043 |
+
except ImportError as e:
|
| 1044 |
+
logger.warning("openai SDK not importable: %s", e)
|
| 1045 |
+
return None
|
| 1046 |
+
|
| 1047 |
+
api_key = os.environ.get("OPENROUTER_API_KEY")
|
| 1048 |
+
if not api_key:
|
| 1049 |
+
return None
|
| 1050 |
+
|
| 1051 |
+
client = OpenAI(
|
| 1052 |
+
base_url=_OPENROUTER_BASE_URL,
|
| 1053 |
+
api_key=api_key,
|
| 1054 |
+
timeout=_LLM_TIMEOUT_SECONDS,
|
| 1055 |
+
)
|
| 1056 |
+
prompt = _build_llm_prompt(payload)
|
| 1057 |
+
try:
|
| 1058 |
+
completion = client.chat.completions.create(
|
| 1059 |
+
model=_DEFAULT_MODEL,
|
| 1060 |
+
messages=[{"role": "user", "content": prompt}],
|
| 1061 |
+
max_tokens=_LLM_MAX_TOKENS,
|
| 1062 |
+
temperature=_LLM_TEMPERATURE,
|
| 1063 |
+
)
|
| 1064 |
+
except Exception as e: # broad: APITimeoutError, APIConnectionError, RateLimitError, ...
|
| 1065 |
+
logger.warning("LLM call failed (%s); falling back to template.", type(e).__name__)
|
| 1066 |
+
return None
|
| 1067 |
+
|
| 1068 |
+
try:
|
| 1069 |
+
text = completion.choices[0].message.content
|
| 1070 |
+
except (AttributeError, IndexError, TypeError) as e:
|
| 1071 |
+
logger.warning("LLM response malformed (%s); falling back to template.", e)
|
| 1072 |
+
return None
|
| 1073 |
+
|
| 1074 |
+
if not text or not text.strip():
|
| 1075 |
+
logger.warning("LLM returned empty rationale; falling back to template.")
|
| 1076 |
+
return None
|
| 1077 |
+
|
| 1078 |
+
return text.strip(), _DEFAULT_MODEL
|
| 1079 |
+
|
| 1080 |
+
|
| 1081 |
+
def explain(payload: ExplainPayload) -> ExplainResult:
|
| 1082 |
+
"""Return a natural-language rationale for a BBB prediction.
|
| 1083 |
+
|
| 1084 |
+
Tries the LLM first when env-permitted; falls back to a deterministic
|
| 1085 |
+
template on any failure. Never raises.
|
| 1086 |
+
"""
|
| 1087 |
+
if _should_use_llm():
|
| 1088 |
+
llm_out: Any = _llm_explain(payload)
|
| 1089 |
+
if llm_out is not None:
|
| 1090 |
+
rationale, model = llm_out
|
| 1091 |
+
return ExplainResult(rationale=rationale, source="llm", model=model)
|
| 1092 |
+
# else: fall through to template
|
| 1093 |
+
return ExplainResult(
|
| 1094 |
+
rationale=_template_explain(payload),
|
| 1095 |
+
source="template",
|
| 1096 |
+
model=None,
|
| 1097 |
+
)
|
| 1098 |
+
```
|
| 1099 |
+
|
| 1100 |
+
### Step 6: Run the new tests — verify GREEN
|
| 1101 |
+
|
| 1102 |
+
- [ ] Run:
|
| 1103 |
+
|
| 1104 |
+
```bash
|
| 1105 |
+
pytest tests/llm/ -v
|
| 1106 |
+
```
|
| 1107 |
+
Expected: **4 passed**.
|
| 1108 |
+
|
| 1109 |
+
### Step 7: Full suite — verify no regression
|
| 1110 |
+
|
| 1111 |
+
- [ ] Run:
|
| 1112 |
+
|
| 1113 |
+
```bash
|
| 1114 |
+
pytest -q 2>&1 | tail -3
|
| 1115 |
+
```
|
| 1116 |
+
Expected: **174 passed** (170 + 4 new).
|
| 1117 |
+
|
| 1118 |
+
### Step 8: UserWarning gate
|
| 1119 |
+
|
| 1120 |
+
- [ ] Verify the new `openai` import doesn't introduce sklearn-style UserWarnings:
|
| 1121 |
+
|
| 1122 |
+
```bash
|
| 1123 |
+
pytest -W error::UserWarning tests/ 2>&1 | tail -3
|
| 1124 |
+
```
|
| 1125 |
+
Expected: same count (174), 0 UserWarning errors.
|
| 1126 |
+
|
| 1127 |
+
### Step 9: Commit T3A
|
| 1128 |
+
|
| 1129 |
+
- [ ] Run:
|
| 1130 |
+
|
| 1131 |
+
```bash
|
| 1132 |
+
git add requirements.txt src/llm/ tests/llm/
|
| 1133 |
+
git commit -m "$(cat <<'EOF'
|
| 1134 |
+
feat(llm): explainer with deterministic template + OpenRouter fallback
|
| 1135 |
+
|
| 1136 |
+
- New module src/llm/explainer.py — single public entry point
|
| 1137 |
+
explain(payload). Returns {rationale, source, model}. Never raises.
|
| 1138 |
+
- Deterministic template (4 sentences: verdict, calibration if any,
|
| 1139 |
+
top-3 SHAP, drift) is the source of truth for tests.
|
| 1140 |
+
- LLM path: OpenRouter chat completions via openai==1.51.0 SDK,
|
| 1141 |
+
model meta-llama/llama-3.2-3b-instruct:free, 8s timeout, 256 max
|
| 1142 |
+
tokens, temperature 0.3. Gated by OPENROUTER_API_KEY presence and
|
| 1143 |
+
NEUROBRIDGE_DISABLE_LLM=1 kill-switch.
|
| 1144 |
+
- Fallback chain: env-disabled → no key → SDK ImportError → API error
|
| 1145 |
+
→ empty/malformed response → all degrade to template, log WARNING,
|
| 1146 |
+
source="template".
|
| 1147 |
+
- 4 new tests: deterministic, top features included, label text
|
| 1148 |
+
included, kill-switch overrides key.
|
| 1149 |
+
- New pip dep: openai==1.51.0 (~600KB, transitive deps already present).
|
| 1150 |
+
|
| 1151 |
+
Co-Authored-By: Claude Opus 4.7 (1M context) <noreply@anthropic.com>
|
| 1152 |
+
EOF
|
| 1153 |
+
)"
|
| 1154 |
+
```
|
| 1155 |
+
|
| 1156 |
+
---
|
| 1157 |
+
|
| 1158 |
+
## Task 3B — POST /explain/bbb Route
|
| 1159 |
+
|
| 1160 |
+
**Why:** Wire the explainer into the API surface so the Streamlit AI Assistant tab (T3C) can call it. Spec §3.4: new `explain_router` with `/explain` prefix.
|
| 1161 |
+
|
| 1162 |
+
**Files:**
|
| 1163 |
+
- Modify: `src/api/schemas.py`
|
| 1164 |
+
- Modify: `src/api/routes.py`
|
| 1165 |
+
- Modify: `src/api/__init__.py` (or wherever the FastAPI app is assembled — verify in step 1)
|
| 1166 |
+
- Modify: `tests/api/test_routes.py`
|
| 1167 |
+
|
| 1168 |
+
### Step 1: Locate the FastAPI app + router registration
|
| 1169 |
+
|
| 1170 |
+
- [ ] Find where `router` and `predict_router` are mounted on the FastAPI app:
|
| 1171 |
+
|
| 1172 |
+
```bash
|
| 1173 |
+
grep -rn "include_router" /Users/mertgungor/Desktop/hackathon/src/
|
| 1174 |
+
```
|
| 1175 |
+
The output will point to a `main.py` or similar (likely `src/api/main.py`). Note the file path; we'll add `app.include_router(explain_router)` there.
|
| 1176 |
+
|
| 1177 |
+
### Step 2: Add `BBBExplainRequest` and `BBBExplainResponse` schemas
|
| 1178 |
+
|
| 1179 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/src/api/schemas.py`. Append at the bottom of the file:
|
| 1180 |
+
|
| 1181 |
+
```python
|
| 1182 |
+
class BBBExplainRequest(BaseModel):
|
| 1183 |
+
"""Day-7 T3B: payload for POST /explain/bbb (chat-style explainer)."""
|
| 1184 |
+
smiles: str = Field(..., description="SMILES string of the molecule")
|
| 1185 |
+
label: int = Field(..., description="Predicted label (0 = non-permeable, 1 = permeable)")
|
| 1186 |
+
label_text: str = Field(..., description="'permeable' or 'non-permeable'")
|
| 1187 |
+
confidence: float = Field(..., ge=0.0, le=1.0)
|
| 1188 |
+
top_features: list[FeatureAttribution] = Field(
|
| 1189 |
+
..., min_length=1,
|
| 1190 |
+
description="Non-empty list of SHAP attributions; an empty list returns 400.",
|
| 1191 |
+
)
|
| 1192 |
+
calibration: CalibrationContext | None = None
|
| 1193 |
+
drift_z: float | None = None
|
| 1194 |
+
user_question: str | None = Field(
|
| 1195 |
+
None,
|
| 1196 |
+
description="Optional question from the user; passed to the LLM prompt only.",
|
| 1197 |
+
)
|
| 1198 |
+
|
| 1199 |
+
|
| 1200 |
+
class BBBExplainResponse(BaseModel):
|
| 1201 |
+
"""Day-7 T3B: response from POST /explain/bbb."""
|
| 1202 |
+
rationale: str = Field(..., description="2-4 sentence natural-language explanation")
|
| 1203 |
+
source: str = Field(..., description="'llm' or 'template'")
|
| 1204 |
+
model: str | None = Field(
|
| 1205 |
+
None,
|
| 1206 |
+
description="LLM model name when source='llm'; None when source='template'",
|
| 1207 |
+
)
|
| 1208 |
+
```
|
| 1209 |
+
|
| 1210 |
+
### Step 3: Write the failing test (RED)
|
| 1211 |
+
|
| 1212 |
+
- [ ] In `/Users/mertgungor/Desktop/hackathon/tests/api/test_routes.py`, append at the very bottom (after `TestMRIDiagnosticsRoute`):
|
| 1213 |
+
|
| 1214 |
+
```python
|
| 1215 |
+
class TestExplainBBBRoute:
|
| 1216 |
+
"""Day-7 T3B: POST /explain/bbb."""
|
| 1217 |
+
|
| 1218 |
+
def test_returns_200_with_template_source(self, monkeypatch):
|
| 1219 |
+
"""Kill-switch on → /explain/bbb returns rationale with source=template."""
|
| 1220 |
+
monkeypatch.setenv("NEUROBRIDGE_DISABLE_LLM", "1")
|
| 1221 |
+
body = {
|
| 1222 |
+
"smiles": "CCO",
|
| 1223 |
+
"label": 1,
|
| 1224 |
+
"label_text": "permeable",
|
| 1225 |
+
"confidence": 0.82,
|
| 1226 |
+
"top_features": [
|
| 1227 |
+
{"feature": "fp_341", "shap_value": 0.045},
|
| 1228 |
+
{"feature": "fp_902", "shap_value": -0.031},
|
| 1229 |
+
{"feature": "fp_77", "shap_value": 0.022},
|
| 1230 |
+
],
|
| 1231 |
+
"calibration": {"threshold": 0.80, "precision": 0.92, "support": 18},
|
| 1232 |
+
"drift_z": 0.42,
|
| 1233 |
+
"user_question": "Why permeable?",
|
| 1234 |
+
}
|
| 1235 |
+
resp = client.post("/explain/bbb", json=body)
|
| 1236 |
+
assert resp.status_code == 200, resp.text
|
| 1237 |
+
out = resp.json()
|
| 1238 |
+
assert out["source"] == "template"
|
| 1239 |
+
assert out["model"] is None
|
| 1240 |
+
# Template must mention all three features
|
| 1241 |
+
for feat in ("fp_341", "fp_902", "fp_77"):
|
| 1242 |
+
assert feat in out["rationale"]
|
| 1243 |
+
assert "permeable" in out["rationale"]
|
| 1244 |
+
```
|
| 1245 |
+
|
| 1246 |
+
### Step 4: Run the test — verify RED
|
| 1247 |
+
|
| 1248 |
+
- [ ] Run:
|
| 1249 |
+
|
| 1250 |
+
```bash
|
| 1251 |
+
pytest tests/api/test_routes.py::TestExplainBBBRoute -v
|
| 1252 |
+
```
|
| 1253 |
+
Expected: **FAIL with 404 Not Found** — `/explain/bbb` doesn't exist yet.
|
| 1254 |
+
|
| 1255 |
+
### Step 5: Add the route + schema imports + router registration (GREEN)
|
| 1256 |
+
|
| 1257 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/src/api/routes.py`. Add the new schemas to the import block (alphabetical):
|
| 1258 |
+
|
| 1259 |
+
```python
|
| 1260 |
+
from src.api.schemas import (
|
| 1261 |
+
BBBExplainRequest, # NEW
|
| 1262 |
+
BBBExplainResponse, # NEW
|
| 1263 |
+
BBBPredictRequest,
|
| 1264 |
+
BBBPredictResponse,
|
| 1265 |
+
BBBRequest,
|
| 1266 |
+
CalibrationContext,
|
| 1267 |
+
EEGRequest,
|
| 1268 |
+
FeatureAttribution,
|
| 1269 |
+
HarmonizationRow,
|
| 1270 |
+
ModelProvenance,
|
| 1271 |
+
MRIDiagnosticsRequest,
|
| 1272 |
+
MRIDiagnosticsResponse,
|
| 1273 |
+
MRIRequest,
|
| 1274 |
+
PipelineResponse,
|
| 1275 |
+
)
|
| 1276 |
+
```
|
| 1277 |
+
|
| 1278 |
+
Add the explainer module import (alphabetical with other `src.*` imports):
|
| 1279 |
+
|
| 1280 |
+
```python
|
| 1281 |
+
from src.llm import explainer as llm_explainer
|
| 1282 |
+
```
|
| 1283 |
+
|
| 1284 |
+
Add a new router declaration immediately after the existing `predict_router` line (around line 38):
|
| 1285 |
+
|
| 1286 |
+
```python
|
| 1287 |
+
explain_router = APIRouter(prefix="/explain")
|
| 1288 |
+
```
|
| 1289 |
+
|
| 1290 |
+
Append the route at the end of the file:
|
| 1291 |
+
|
| 1292 |
+
```python
|
| 1293 |
+
@explain_router.post("/bbb", response_model=BBBExplainResponse)
|
| 1294 |
+
def explain_bbb(req: BBBExplainRequest) -> BBBExplainResponse:
|
| 1295 |
+
"""Natural-language rationale for a single BBB prediction.
|
| 1296 |
+
|
| 1297 |
+
Always returns 200 — the explainer is guaranteed to produce a
|
| 1298 |
+
rationale via deterministic-template fallback. Pydantic enforces
|
| 1299 |
+
a non-empty top_features list; an empty list returns 422 from
|
| 1300 |
+
FastAPI before this handler runs.
|
| 1301 |
+
"""
|
| 1302 |
+
payload: llm_explainer.ExplainPayload = {
|
| 1303 |
+
"smiles": req.smiles,
|
| 1304 |
+
"label": req.label,
|
| 1305 |
+
"label_text": req.label_text,
|
| 1306 |
+
"confidence": req.confidence,
|
| 1307 |
+
"top_features": [
|
| 1308 |
+
{"feature": f.feature, "shap_value": f.shap_value}
|
| 1309 |
+
for f in req.top_features
|
| 1310 |
+
],
|
| 1311 |
+
"calibration": (
|
| 1312 |
+
None
|
| 1313 |
+
if req.calibration is None
|
| 1314 |
+
else {
|
| 1315 |
+
"threshold": req.calibration.threshold,
|
| 1316 |
+
"precision": req.calibration.precision,
|
| 1317 |
+
"support": req.calibration.support,
|
| 1318 |
+
}
|
| 1319 |
+
),
|
| 1320 |
+
"drift_z": req.drift_z,
|
| 1321 |
+
"user_question": req.user_question or "",
|
| 1322 |
+
}
|
| 1323 |
+
result = llm_explainer.explain(payload)
|
| 1324 |
+
return BBBExplainResponse(
|
| 1325 |
+
rationale=result["rationale"],
|
| 1326 |
+
source=result["source"],
|
| 1327 |
+
model=result["model"],
|
| 1328 |
+
)
|
| 1329 |
+
```
|
| 1330 |
+
|
| 1331 |
+
- [ ] Open `src/api/main.py` (or whichever file Step 1 identified). Find where `app.include_router(predict_router)` is called. Immediately after that line, add:
|
| 1332 |
+
|
| 1333 |
+
```python
|
| 1334 |
+
from src.api.routes import explain_router # if not already imported
|
| 1335 |
+
app.include_router(explain_router)
|
| 1336 |
+
```
|
| 1337 |
+
|
| 1338 |
+
(If `predict_router` is imported as `from src.api.routes import predict_router`, add `explain_router` to that same import.)
|
| 1339 |
+
|
| 1340 |
+
### Step 6: Run the test — verify GREEN
|
| 1341 |
+
|
| 1342 |
+
- [ ] Run:
|
| 1343 |
+
|
| 1344 |
+
```bash
|
| 1345 |
+
pytest tests/api/test_routes.py::TestExplainBBBRoute -v
|
| 1346 |
+
```
|
| 1347 |
+
Expected: **PASS**.
|
| 1348 |
+
|
| 1349 |
+
### Step 7: Full suite — verify no regression
|
| 1350 |
+
|
| 1351 |
+
- [ ] Run:
|
| 1352 |
+
|
| 1353 |
+
```bash
|
| 1354 |
+
pytest -q 2>&1 | tail -3
|
| 1355 |
+
```
|
| 1356 |
+
Expected: **175 passed** (174 + 1 new).
|
| 1357 |
+
|
| 1358 |
+
### Step 8: Commit T3B
|
| 1359 |
+
|
| 1360 |
+
- [ ] Run:
|
| 1361 |
+
|
| 1362 |
+
```bash
|
| 1363 |
+
git add src/api/schemas.py src/api/routes.py src/api/main.py tests/api/test_routes.py
|
| 1364 |
+
git commit -m "$(cat <<'EOF'
|
| 1365 |
+
feat(api): POST /explain/bbb — natural-language rationale endpoint
|
| 1366 |
+
|
| 1367 |
+
- New explain_router with /explain prefix; symmetric with /predict/bbb
|
| 1368 |
+
and reserves /explain/eeg, /explain/mri for future expansion.
|
| 1369 |
+
- BBBExplainRequest carries the prediction snapshot + optional
|
| 1370 |
+
user_question. top_features is required and must be non-empty
|
| 1371 |
+
(Pydantic min_length=1 → 422 on empty).
|
| 1372 |
+
- BBBExplainResponse: {rationale, source, model}. Always 200 because
|
| 1373 |
+
the explainer's template fallback never raises.
|
| 1374 |
+
- 1 new test: 200 + source='template' under NEUROBRIDGE_DISABLE_LLM=1
|
| 1375 |
+
with full SHAP + calibration + drift payload.
|
| 1376 |
+
|
| 1377 |
+
Co-Authored-By: Claude Opus 4.7 (1M context) <noreply@anthropic.com>
|
| 1378 |
+
EOF
|
| 1379 |
+
)"
|
| 1380 |
+
```
|
| 1381 |
+
|
| 1382 |
+
---
|
| 1383 |
+
|
| 1384 |
+
## Task 3C — Streamlit "AI Assistant" Tab
|
| 1385 |
+
|
| 1386 |
+
**Why:** Spec §3.5. Lets the jury type / pick a question and watch the system reason in natural language. Pulls the last `/predict/bbb` result from `st.session_state` (populated in T1C Step 3) and POSTs to `/explain/bbb`.
|
| 1387 |
+
|
| 1388 |
+
**Files:**
|
| 1389 |
+
- Modify: `src/frontend/app.py`
|
| 1390 |
+
|
| 1391 |
+
No new tests — covered by the 2 existing import-smoke tests.
|
| 1392 |
+
|
| 1393 |
+
### Step 1: Locate the tab assembly
|
| 1394 |
+
|
| 1395 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/src/frontend/app.py`. Find the `main()` function. The current tabs are likely created via something like:
|
| 1396 |
+
|
| 1397 |
+
```python
|
| 1398 |
+
tab_bbb, tab_eeg, tab_mri = st.tabs(["BBB", "EEG", "MRI"])
|
| 1399 |
+
```
|
| 1400 |
+
|
| 1401 |
+
Note the exact line so we can extend it.
|
| 1402 |
+
|
| 1403 |
+
### Step 2: Extend the tabs list
|
| 1404 |
+
|
| 1405 |
+
- [ ] Replace the existing tab declaration with:
|
| 1406 |
+
|
| 1407 |
+
```python
|
| 1408 |
+
tab_bbb, tab_eeg, tab_mri, tab_assistant = st.tabs(
|
| 1409 |
+
["BBB", "EEG", "MRI", "AI Assistant"]
|
| 1410 |
+
)
|
| 1411 |
+
```
|
| 1412 |
+
|
| 1413 |
+
- [ ] Wherever the existing 3 tabs are rendered (`with tab_bbb: _render_bbb_tab()` etc.), append:
|
| 1414 |
+
|
| 1415 |
+
```python
|
| 1416 |
+
with tab_assistant:
|
| 1417 |
+
_render_ai_assistant_tab()
|
| 1418 |
+
```
|
| 1419 |
+
|
| 1420 |
+
### Step 3: Add the helper function `_render_ai_assistant_tab`
|
| 1421 |
+
|
| 1422 |
+
- [ ] Add this new function above `main()` (near the other `_render_*_tab` helpers):
|
| 1423 |
+
|
| 1424 |
+
```python
|
| 1425 |
+
def _render_ai_assistant_tab() -> None:
|
| 1426 |
+
"""Day-7 T3C: chat-style explainer for the most recent BBB prediction."""
|
| 1427 |
+
_render_section(
|
| 1428 |
+
"AI Assistant",
|
| 1429 |
+
"Natural-language rationale (LLM or deterministic template)",
|
| 1430 |
+
"Pulls the most recent BBB prediction from this session and asks "
|
| 1431 |
+
"the explainer to justify it. Falls back to a deterministic, "
|
| 1432 |
+
"auditable template when no LLM is configured."
|
| 1433 |
+
)
|
| 1434 |
+
|
| 1435 |
+
last = st.session_state.get("last_bbb_prediction")
|
| 1436 |
+
if last is None:
|
| 1437 |
+
st.info(
|
| 1438 |
+
"Run a BBB prediction first (BBB tab → Predict button), "
|
| 1439 |
+
"then come back here to ask the assistant about it."
|
| 1440 |
+
)
|
| 1441 |
+
return
|
| 1442 |
+
|
| 1443 |
+
# Snapshot card so the user knows which prediction is being explained
|
| 1444 |
+
st.caption(
|
| 1445 |
+
f"Latest prediction: **{last['label_text']}** "
|
| 1446 |
+
f"({float(last['confidence']) * 100:.0f}% confident) · "
|
| 1447 |
+
f"Top SHAP: {', '.join(f['feature'] for f in last.get('top_features', [])[:3])}"
|
| 1448 |
+
)
|
| 1449 |
+
|
| 1450 |
+
PRESETS = [
|
| 1451 |
+
"Why was this molecule predicted as permeable?",
|
| 1452 |
+
"Which features pushed the verdict the most?",
|
| 1453 |
+
"Is this prediction trustworthy given the drift signal?",
|
| 1454 |
+
]
|
| 1455 |
+
preset = st.selectbox("Preset question", options=PRESETS, key="ai_preset")
|
| 1456 |
+
custom = st.text_input(
|
| 1457 |
+
"Or type your own question (optional)",
|
| 1458 |
+
value="",
|
| 1459 |
+
key="ai_custom",
|
| 1460 |
+
help="Custom questions only affect the LLM path; the template gives a generic SHAP-driven rationale either way.",
|
| 1461 |
+
)
|
| 1462 |
+
question = custom.strip() or preset
|
| 1463 |
+
|
| 1464 |
+
if st.button("Ask the AI Assistant", type="primary", key="ai_ask"):
|
| 1465 |
+
with st.spinner("Composing rationale…"):
|
| 1466 |
+
try:
|
| 1467 |
+
body = {
|
| 1468 |
+
"smiles": last.get("smiles", ""),
|
| 1469 |
+
"label": last["label"],
|
| 1470 |
+
"label_text": last["label_text"],
|
| 1471 |
+
"confidence": last["confidence"],
|
| 1472 |
+
"top_features": last.get("top_features", []),
|
| 1473 |
+
"calibration": last.get("calibration"),
|
| 1474 |
+
"drift_z": last.get("drift_z"),
|
| 1475 |
+
"user_question": question,
|
| 1476 |
+
}
|
| 1477 |
+
# The /predict/bbb response payload doesn't include the
|
| 1478 |
+
# user-supplied SMILES (only label/confidence/etc.), so
|
| 1479 |
+
# pull it from the input widget for paper-trail accuracy.
|
| 1480 |
+
# Streamlit text inputs persist via st.session_state.
|
| 1481 |
+
if not body["smiles"]:
|
| 1482 |
+
body["smiles"] = st.session_state.get("bbb_smiles", "")
|
| 1483 |
+
resp = _post("/explain/bbb", body)
|
| 1484 |
+
except httpx.HTTPStatusError as e:
|
| 1485 |
+
st.error(
|
| 1486 |
+
f"Explainer failed (HTTP {e.response.status_code}): "
|
| 1487 |
+
f"{e.response.text}"
|
| 1488 |
+
)
|
| 1489 |
+
return
|
| 1490 |
+
except httpx.RequestError as e:
|
| 1491 |
+
st.error(f"Cannot reach FastAPI at {_API_URL}: {e!r}")
|
| 1492 |
+
return
|
| 1493 |
+
|
| 1494 |
+
history = st.session_state.setdefault("explain_history", [])
|
| 1495 |
+
history.insert(0, (question, resp))
|
| 1496 |
+
|
| 1497 |
+
# Render history (most recent first)
|
| 1498 |
+
history = st.session_state.get("explain_history", [])
|
| 1499 |
+
if history:
|
| 1500 |
+
st.markdown("### Conversation")
|
| 1501 |
+
for q, r in history[:10]: # cap at 10 most recent
|
| 1502 |
+
with st.container():
|
| 1503 |
+
st.markdown(f"**Q:** {q}")
|
| 1504 |
+
st.markdown(f"**A:** {r['rationale']}")
|
| 1505 |
+
source = r.get("source", "?")
|
| 1506 |
+
model = r.get("model") or "—"
|
| 1507 |
+
st.caption(f"Source: `{source}` · Model: `{model}`")
|
| 1508 |
+
st.divider()
|
| 1509 |
+
```
|
| 1510 |
+
|
| 1511 |
+
### Step 4: Smoke test
|
| 1512 |
+
|
| 1513 |
+
- [ ] Run:
|
| 1514 |
+
|
| 1515 |
+
```bash
|
| 1516 |
+
pytest tests/frontend/ -v
|
| 1517 |
+
```
|
| 1518 |
+
Expected: **2 passed**.
|
| 1519 |
+
|
| 1520 |
+
```bash
|
| 1521 |
+
streamlit run src/frontend/app.py --server.headless true --server.port 8532 &
|
| 1522 |
+
STREAMLIT_PID=$!
|
| 1523 |
+
sleep 6
|
| 1524 |
+
curl -s -o /dev/null -w "%{http_code}\n" http://localhost:8532
|
| 1525 |
+
kill $STREAMLIT_PID 2>/dev/null
|
| 1526 |
+
sleep 1
|
| 1527 |
+
```
|
| 1528 |
+
Expected: HTTP `200`.
|
| 1529 |
+
|
| 1530 |
+
### Step 5: Full suite — verify no regression
|
| 1531 |
+
|
| 1532 |
+
- [ ] Run:
|
| 1533 |
+
|
| 1534 |
+
```bash
|
| 1535 |
+
pytest -q 2>&1 | tail -3
|
| 1536 |
+
```
|
| 1537 |
+
Expected: **175 passed** (no count change — UI only).
|
| 1538 |
+
|
| 1539 |
+
### Step 6: Commit T3C
|
| 1540 |
+
|
| 1541 |
+
- [ ] Run:
|
| 1542 |
+
|
| 1543 |
+
```bash
|
| 1544 |
+
git add src/frontend/app.py
|
| 1545 |
+
git commit -m "$(cat <<'EOF'
|
| 1546 |
+
feat(frontend): AI Assistant tab — natural-language explainer
|
| 1547 |
+
|
| 1548 |
+
- New 4th tab in main(): BBB / EEG / MRI / AI Assistant.
|
| 1549 |
+
- _render_ai_assistant_tab pulls last_bbb_prediction from session
|
| 1550 |
+
state, shows a snapshot caption, lets the user pick from 3 preset
|
| 1551 |
+
questions or type a custom one, POSTs to /explain/bbb, and renders
|
| 1552 |
+
a reverse-chronological history (capped at 10).
|
| 1553 |
+
- Each history entry shows source (llm | template) and model so
|
| 1554 |
+
jurors can audit which path served each rationale.
|
| 1555 |
+
- Empty state when no prediction yet: explicit prompt to run BBB tab
|
| 1556 |
+
first.
|
| 1557 |
+
- No new tests; covered by 2 existing import-smoke tests.
|
| 1558 |
+
|
| 1559 |
+
Co-Authored-By: Claude Opus 4.7 (1M context) <noreply@anthropic.com>
|
| 1560 |
+
EOF
|
| 1561 |
+
)"
|
| 1562 |
+
```
|
| 1563 |
+
|
| 1564 |
+
---
|
| 1565 |
+
|
| 1566 |
+
## Task 4 — Close-out: AGENTS.md + README + DoD
|
| 1567 |
+
|
| 1568 |
+
**Why:** Anchor the new contracts in `AGENTS.md`, give the demo runner a `curl` recipe in `README.md`, run the full Day-7 DoD.
|
| 1569 |
+
|
| 1570 |
+
**Files:**
|
| 1571 |
+
- Modify: `AGENTS.md`
|
| 1572 |
+
- Modify: `README.md`
|
| 1573 |
+
|
| 1574 |
+
### Step 1: AGENTS.md — append §10 and §11
|
| 1575 |
+
|
| 1576 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/AGENTS.md`. Confirm the last section is currently §9 (Demo Features). Append at the end:
|
| 1577 |
+
|
| 1578 |
+
```markdown
|
| 1579 |
+
## 10. Drift Surface (Day 7)
|
| 1580 |
+
|
| 1581 |
+
Each predict route maintains a per-worker rolling window of recent
|
| 1582 |
+
prediction confidences (`collections.deque(maxlen=100)`). Train-time
|
| 1583 |
+
median + std are stashed on `model._neurobridge_train_stats` (joblib
|
| 1584 |
+
roundtrip-safe). The drift z-score is `(rolling_median − train_median) /
|
| 1585 |
+
max(train_std, 1e-9)`, computed only when the buffer holds ≥10 samples
|
| 1586 |
+
AND the model has the train-stats attribute. The `/predict/bbb`
|
| 1587 |
+
response carries `drift_z: float | None` and `rolling_n: int`. The UI
|
| 1588 |
+
renders a one-line caption with a magnitude tag (in-band, mild,
|
| 1589 |
+
significant). Worker restart clears the deque; this is acceptable for
|
| 1590 |
+
demo and removes the audit-trail concern.
|
| 1591 |
+
|
| 1592 |
+
## 11. LLM Explainer Surface (Day 7)
|
| 1593 |
+
|
| 1594 |
+
`src/llm/explainer.py` is the single entry point for natural-language
|
| 1595 |
+
rationales. `explain(payload)` always returns `{rationale, source,
|
| 1596 |
+
model}`. The deterministic template path is the source of truth for
|
| 1597 |
+
tests; the LLM path is OpenRouter via the `openai==1.51.0` SDK using
|
| 1598 |
+
`meta-llama/llama-3.2-3b-instruct:free`. Two env knobs control the
|
| 1599 |
+
behavior:
|
| 1600 |
+
|
| 1601 |
+
- `OPENROUTER_API_KEY` — when absent, fallback to template.
|
| 1602 |
+
- `NEUROBRIDGE_DISABLE_LLM=1` — hard kill-switch; force template even
|
| 1603 |
+
if a key is set. Use this for demo days when you want fully
|
| 1604 |
+
deterministic, reproducible rationales.
|
| 1605 |
+
|
| 1606 |
+
The `POST /explain/bbb` endpoint mirrors this contract. Pydantic
|
| 1607 |
+
enforces a non-empty `top_features` list (422 on empty); every other
|
| 1608 |
+
failure mode degrades to template + WARNING log + `source="template"`.
|
| 1609 |
+
```
|
| 1610 |
+
|
| 1611 |
+
### Step 2: README.md — add Day 7 row + curl recipe
|
| 1612 |
+
|
| 1613 |
+
- [ ] Open `/Users/mertgungor/Desktop/hackathon/README.md`. Find the day-by-day status table from Day 6 (it should have a row like `| Day 6 — Final Polish & Demo Features ... | ✅ Shipped — 165 tests green |`). Append a new row immediately below it:
|
| 1614 |
+
|
| 1615 |
+
```markdown
|
| 1616 |
+
| Day 7 — Final 5% (Drift, Traceability & Agents) | ✅ Shipped — 175 tests green |
|
| 1617 |
+
```
|
| 1618 |
+
|
| 1619 |
+
- [ ] Find the "Where to Look" / pointers section (Day 6's close-out added entries here). Append:
|
| 1620 |
+
|
| 1621 |
+
- `docs/superpowers/specs/2026-05-05-day7-drift-traceability-agents-design.md` (Day-7 design spec)
|
| 1622 |
+
- `docs/superpowers/plans/2026-05-05-day7-drift-traceability-agents.md` (Day-7 plan)
|
| 1623 |
+
- New surface: `POST /explain/bbb` — natural-language rationale (LLM + deterministic fallback)
|
| 1624 |
+
- New surface: `drift_z` / `rolling_n` / `provenance` fields in `POST /predict/bbb` response
|
| 1625 |
+
|
| 1626 |
+
- [ ] Find the existing "Demo Recipe" section if any; otherwise append a new section near the end:
|
| 1627 |
+
|
| 1628 |
+
```markdown
|
| 1629 |
+
## Day 7 — Demo Recipe
|
| 1630 |
+
|
| 1631 |
+
Pre-flight (one terminal):
|
| 1632 |
+
|
| 1633 |
+
```bash
|
| 1634 |
+
# Start API with deterministic explainer (no LLM key needed)
|
| 1635 |
+
NEUROBRIDGE_DISABLE_LLM=1 BBB_MODEL_PATH=data/processed/bbb_model.joblib \
|
| 1636 |
+
uvicorn src.api.main:app --port 8000
|
| 1637 |
+
```
|
| 1638 |
+
|
| 1639 |
+
Predict + explain (other terminal):
|
| 1640 |
+
|
| 1641 |
+
```bash
|
| 1642 |
+
# 1) Predict — body now carries drift_z, rolling_n, provenance
|
| 1643 |
+
curl -s -X POST http://localhost:8000/predict/bbb \
|
| 1644 |
+
-H "Content-Type: application/json" \
|
| 1645 |
+
-d '{"smiles": "CCO", "top_k": 5}' | jq
|
| 1646 |
+
|
| 1647 |
+
# 2) Explain — feed the predict response back as the explain payload
|
| 1648 |
+
curl -s -X POST http://localhost:8000/explain/bbb \
|
| 1649 |
+
-H "Content-Type: application/json" \
|
| 1650 |
+
-d '{
|
| 1651 |
+
"smiles": "CCO",
|
| 1652 |
+
"label": 1,
|
| 1653 |
+
"label_text": "permeable",
|
| 1654 |
+
"confidence": 0.82,
|
| 1655 |
+
"top_features": [
|
| 1656 |
+
{"feature": "fp_341", "shap_value": 0.045},
|
| 1657 |
+
{"feature": "fp_902", "shap_value": -0.031}
|
| 1658 |
+
],
|
| 1659 |
+
"drift_z": 0.42,
|
| 1660 |
+
"user_question": "Why permeable?"
|
| 1661 |
+
}' | jq
|
| 1662 |
+
|
| 1663 |
+
# 3) Same call but with LLM enabled (set the key first)
|
| 1664 |
+
unset NEUROBRIDGE_DISABLE_LLM
|
| 1665 |
+
export OPENROUTER_API_KEY="sk-or-v1-…"
|
| 1666 |
+
# Repeat the curl above; expect "source": "llm" and a model name.
|
| 1667 |
+
```
|
| 1668 |
+
|
| 1669 |
+
Streamlit demo: `streamlit run src/frontend/app.py` → BBB tab → Predict → AI Assistant tab → ask a preset question.
|
| 1670 |
+
|
| 1671 |
+
Drift demo: refresh the BBB tab and predict 10+ times in a row — the drift caption transitions from "warming up" to a numeric z-score.
|
| 1672 |
+
```
|
| 1673 |
+
|
| 1674 |
+
### Step 3: Run the full DoD verification
|
| 1675 |
+
|
| 1676 |
+
All of these must pass:
|
| 1677 |
+
|
| 1678 |
+
- [ ] **DoD-1: Full suite at 175.**
|
| 1679 |
+
|
| 1680 |
+
```bash
|
| 1681 |
+
pytest -q 2>&1 | tail -3
|
| 1682 |
+
```
|
| 1683 |
+
Expected: **175 passed**.
|
| 1684 |
+
|
| 1685 |
+
- [ ] **DoD-2: UserWarning gate clean.**
|
| 1686 |
+
|
| 1687 |
+
```bash
|
| 1688 |
+
pytest -W error::UserWarning tests/ 2>&1 | tail -3
|
| 1689 |
+
```
|
| 1690 |
+
Expected: 175 passed, 0 warnings escalated.
|
| 1691 |
+
|
| 1692 |
+
- [ ] **DoD-3: Streamlit boots.**
|
| 1693 |
+
|
| 1694 |
+
```bash
|
| 1695 |
+
streamlit run src/frontend/app.py --server.headless true --server.port 8533 &
|
| 1696 |
+
STREAMLIT_PID=$!
|
| 1697 |
+
sleep 6
|
| 1698 |
+
curl -s -o /dev/null -w "%{http_code}\n" http://localhost:8533
|
| 1699 |
+
kill $STREAMLIT_PID 2>/dev/null
|
| 1700 |
+
sleep 1
|
| 1701 |
+
```
|
| 1702 |
+
Expected: `200`.
|
| 1703 |
+
|
| 1704 |
+
- [ ] **DoD-4: Predict endpoint shape.**
|
| 1705 |
+
|
| 1706 |
+
Start the API in the background with the kill-switch on and a fresh deque:
|
| 1707 |
+
|
| 1708 |
+
```bash
|
| 1709 |
+
NEUROBRIDGE_DISABLE_LLM=1 BBB_MODEL_PATH=data/processed/bbb_model.joblib \
|
| 1710 |
+
uvicorn src.api.main:app --port 8534 &
|
| 1711 |
+
UVICORN_PID=$!
|
| 1712 |
+
sleep 4
|
| 1713 |
+
curl -s -X POST http://localhost:8534/predict/bbb \
|
| 1714 |
+
-H "Content-Type: application/json" \
|
| 1715 |
+
-d '{"smiles": "CCO", "top_k": 3}' | python3 -c "
|
| 1716 |
+
import json, sys
|
| 1717 |
+
body = json.load(sys.stdin)
|
| 1718 |
+
required = {'label','label_text','confidence','top_features','calibration','drift_z','rolling_n','provenance'}
|
| 1719 |
+
missing = required - set(body.keys())
|
| 1720 |
+
print('missing keys:', missing if missing else 'NONE')
|
| 1721 |
+
"
|
| 1722 |
+
kill $UVICORN_PID 2>/dev/null
|
| 1723 |
+
sleep 1
|
| 1724 |
+
```
|
| 1725 |
+
Expected: `missing keys: NONE`.
|
| 1726 |
+
|
| 1727 |
+
- [ ] **DoD-5: Explain endpoint deterministic path.**
|
| 1728 |
+
|
| 1729 |
+
```bash
|
| 1730 |
+
NEUROBRIDGE_DISABLE_LLM=1 BBB_MODEL_PATH=data/processed/bbb_model.joblib \
|
| 1731 |
+
uvicorn src.api.main:app --port 8535 &
|
| 1732 |
+
UVICORN_PID=$!
|
| 1733 |
+
sleep 4
|
| 1734 |
+
curl -s -X POST http://localhost:8535/explain/bbb \
|
| 1735 |
+
-H "Content-Type: application/json" \
|
| 1736 |
+
-d '{
|
| 1737 |
+
"smiles": "CCO",
|
| 1738 |
+
"label": 1,
|
| 1739 |
+
"label_text": "permeable",
|
| 1740 |
+
"confidence": 0.82,
|
| 1741 |
+
"top_features": [{"feature":"fp_341","shap_value":0.045}],
|
| 1742 |
+
"drift_z": 0.42
|
| 1743 |
+
}' | python3 -c "
|
| 1744 |
+
import json, sys
|
| 1745 |
+
body = json.load(sys.stdin)
|
| 1746 |
+
assert body['source'] == 'template', f\"expected source=template, got {body['source']}\"
|
| 1747 |
+
assert body['model'] is None
|
| 1748 |
+
assert 'fp_341' in body['rationale']
|
| 1749 |
+
print('explain endpoint OK:', body['rationale'][:80], '…')
|
| 1750 |
+
"
|
| 1751 |
+
kill $UVICORN_PID 2>/dev/null
|
| 1752 |
+
sleep 1
|
| 1753 |
+
```
|
| 1754 |
+
Expected: `explain endpoint OK: …` printed.
|
| 1755 |
+
|
| 1756 |
+
If ANY of DoD-1 through DoD-5 fails, STOP and report. Do NOT commit T4 with a failing DoD.
|
| 1757 |
+
|
| 1758 |
+
### Step 4: Commit T4
|
| 1759 |
+
|
| 1760 |
+
- [ ] Run:
|
| 1761 |
+
|
| 1762 |
+
```bash
|
| 1763 |
+
git add AGENTS.md README.md
|
| 1764 |
+
git commit -m "$(cat <<'EOF'
|
| 1765 |
+
docs: Day-7 close-out — AGENTS §10 drift + §11 LLM explainer + README recipe
|
| 1766 |
+
|
| 1767 |
+
- AGENTS §10 documents the per-worker deque, train-stats stash, and
|
| 1768 |
+
z-score formula. §11 documents the explainer's two-path contract,
|
| 1769 |
+
env knobs (OPENROUTER_API_KEY, NEUROBRIDGE_DISABLE_LLM=1), and the
|
| 1770 |
+
/explain/bbb endpoint shape.
|
| 1771 |
+
- README adds Day 7 to the status table (175 tests green), pointers
|
| 1772 |
+
to the Day-7 spec + plan + new surfaces, and a Demo Recipe section
|
| 1773 |
+
with curl invocations for both endpoints (template-only and LLM).
|
| 1774 |
+
- DoD-1 through DoD-5 all green: pytest 175, UserWarning gate clean,
|
| 1775 |
+
Streamlit boot 200, predict body shape, explain template path.
|
| 1776 |
+
|
| 1777 |
+
Co-Authored-By: Claude Opus 4.7 (1M context) <noreply@anthropic.com>
|
| 1778 |
+
EOF
|
| 1779 |
+
)"
|
| 1780 |
+
```
|
| 1781 |
+
|
| 1782 |
+
---
|
| 1783 |
+
|
| 1784 |
+
## Definition of Done (Day 7)
|
| 1785 |
+
|
| 1786 |
+
| Check | Pass criterion |
|
| 1787 |
+
|---|---|
|
| 1788 |
+
| Full suite green | `pytest -q` reports **175 passed** |
|
| 1789 |
+
| UserWarning gate | `pytest -W error::UserWarning tests/` reports same count, 0 escalations |
|
| 1790 |
+
| Streamlit boots | `streamlit run …` returns HTTP 200 |
|
| 1791 |
+
| `/predict/bbb` body shape | Includes `drift_z`, `rolling_n`, `provenance` keys |
|
| 1792 |
+
| `/explain/bbb` template path | Returns `source: "template"`, rationale contains top feature names |
|
| 1793 |
+
| `_neurobridge_train_stats` persists | `TestTrainStatsMetadata.test_train_stats_survives_save_load_roundtrip` |
|
| 1794 |
+
| Deque rolls at 100 | `TestBBBPredictRoute.test_predict_deque_rolls_at_100` |
|
| 1795 |
+
| AI Assistant tab renders | Streamlit boot + manual click verify |
|
| 1796 |
+
| MLflow badge appears in card | Streamlit boot + manual prediction verify |
|
| 1797 |
+
| AGENTS §10 + §11 committed | yes |
|
| 1798 |
+
| README has Day-7 row + curl recipe | yes |
|
| 1799 |
+
| 9 commits in Day-7 ledger | T1A, T1B, T1C, T2, T3A, T3B, T3C, T4, plus the spec commit `09dd9c3` |
|
| 1800 |
+
|
| 1801 |
+
When all rows green: Day 7 mühürlü. Hackathon submission hazır.
|
| 1802 |
+
|
| 1803 |
+
---
|
| 1804 |
+
|
| 1805 |
+
## Self-Review (Plan Author)
|
| 1806 |
+
|
| 1807 |
+
**Spec coverage:**
|
| 1808 |
+
- §1 Goal — covered by all 4 tasks.
|
| 1809 |
+
- §2.1 Drift state location (deque + train_stats) — T1A + T1B.
|
| 1810 |
+
- §2.2 LLM provider (OpenRouter, kill-switch) — T3A.
|
| 1811 |
+
- §3.1 Drift layer (model, schemas, routes, frontend) — T1A + T1B + T1C.
|
| 1812 |
+
- §3.2 MLflow traceability badge (schema, lookup, UI) — T2.
|
| 1813 |
+
- §3.3 LLM explainer module (template + OpenRouter + fallback chain) — T3A.
|
| 1814 |
+
- §3.4 `POST /explain/bbb` (explain_router, schemas, route) — T3B.
|
| 1815 |
+
- §3.5 Streamlit AI Assistant tab (session state, presets, history) — T3C.
|
| 1816 |
+
- §4 Test plan (+10 tests) — 2 (T1A) + 2 (T1B) + 1 (T2) + 4 (T3A) + 1 (T3B) = 10 ✅.
|
| 1817 |
+
- §5 New dep — T3A Step 1.
|
| 1818 |
+
- §6 Failure modes / lifelines — T2 Step 4 (`NEUROBRIDGE_DISABLE_MLFLOW`), T3A `_should_use_llm` + `_llm_explain` exception handler.
|
| 1819 |
+
- §8 DoD — T4 Step 3 (DoD-1 through DoD-5).
|
| 1820 |
+
- §9 Out of scope — explicitly NOT touched (no streaming, no retraining, no vector RAG, no provenance signing).
|
| 1821 |
+
|
| 1822 |
+
**Placeholder scan:** No `TBD`, `TODO`, `FIXME`, "implement later", "fill in details", or vague "add appropriate error handling" instructions remain. Every code step shows the actual code; every command shows the expected output.
|
| 1823 |
+
|
| 1824 |
+
**Type / name consistency:**
|
| 1825 |
+
- `model._neurobridge_train_stats` keys: `median`, `std`, `n_train` — used identically in T1A (set), T1B (`stats["median"]`, `stats["std"]`), T2 (`stats.get("n_train", 0)`). ✅
|
| 1826 |
+
- `WORKER_CONFIDENCE_DEQUE` — defined T1B Step 4, referenced in T1B tests Step 2. ✅
|
| 1827 |
+
- `_compute_drift_z(model, confidence) -> tuple[float | None, int]` — return shape used in T1B Step 4 implementation matches the test assertions in Step 2. ✅
|
| 1828 |
+
- `BBBPredictResponse` field additions: `drift_z` (T1B), `rolling_n` (T1B), `provenance` (T2). UI helper reads the same names in T1C / T2 Step 6. ✅
|
| 1829 |
+
- `ExplainResult` keys: `rationale`, `source`, `model` — used in T3A tests, T3A implementation, T3B route handler, T3B test, T3C UI. ✅
|
| 1830 |
+
- `explain_router` (prefix `/explain`) → `POST /explain/bbb` — declared T3B Step 5, mounted in same step, tested in T3B Step 3, called from UI in T3C Step 3. ✅
|
| 1831 |
+
|
| 1832 |
+
No issues found.
|