feat: Phase N N1 pre-registration form schema -- machine-verifiable experiment pre-commitment before results are observed (starts Phase N)

Makefile

@@ -1,4 +1,4 @@
-.PHONY: help demo test lint ci clean bench-leakage bench-multi-negatives bench-baseline bench-hidden-active bench-cluster-split bench-expert-ablation bench-expert-ablation-500 bench-selectivity bench-feature-decomp bench-gate bench-easy-baseline bench-charge-matched bench-order-dependent bench-precision-at-k bench-per-family bench-simulation-ablation bench-simulation-ablation-within-amp simulation-gate bench-strategy-compare regenerate-all generate phase3 pilot validate-scoring validate-scoring-phase3 validate-scoring-strict external-pilot pilot-confident presynth-qc gold-standard diversity synthesis-order novelty-broad external-consensus questionnaire gate-check ip-report benchmark-card wave0-5-gate-check wave0-5-novelty-audit wave0-5-novelty-audit-v2 wave0-5-panel wave0-5-evidence wave0-5-fill-external wave0-5b-generate wave0-5b-filter recalibration-engine recalibration-engine-dry-run validate-policy-version generate-synthetic-lab-results bump-policy-version generate-review-packet failed-candidate-report safe-publication-filter classify-negative-informativeness validate-rejection-events negative-result-dashboard calibration-audit calibration-audit-example calibration-overfit-check result-quality-filter synthetic-result-policy-check calibration-decision-checklist calibration-rollback-plan simulation-registry validate-simulation-result-schema simulation-baseline-check adapter-gate-check simulation-provenance simulation-ensemble-check simulation-ci-report simulation-deprecation-check simulation-scope-check simulation-evidence-packet artifact-version candidate-manifest artifact-changelog integration-check adapter-author-check license-check artifact-compat-check contribution-check adoption-scorecard release-gate-check decision-log release-request-check coi-check rotation-plan-check security-report-check citation-check roadmap-sync-check advisory-review-check annual-review-check selection-rationale-check batch-priority-check pilot-package-check calibration-intake-check uncertainty-report-check preprint-bundle-check reproducibility-manifest-check candidate-summary-card-check multi-candidate-comparison-check pipeline-decision-audit-check claim-to-evidence-check score-decomposition-check reviewer-briefing-check audit-chain-check dataset-release-check
+.PHONY: help demo test lint ci clean bench-leakage bench-multi-negatives bench-baseline bench-hidden-active bench-cluster-split bench-expert-ablation bench-expert-ablation-500 bench-selectivity bench-feature-decomp bench-gate bench-easy-baseline bench-charge-matched bench-order-dependent bench-precision-at-k bench-per-family bench-simulation-ablation bench-simulation-ablation-within-amp simulation-gate bench-strategy-compare regenerate-all generate phase3 pilot validate-scoring validate-scoring-phase3 validate-scoring-strict external-pilot pilot-confident presynth-qc gold-standard diversity synthesis-order novelty-broad external-consensus questionnaire gate-check ip-report benchmark-card wave0-5-gate-check wave0-5-novelty-audit wave0-5-novelty-audit-v2 wave0-5-panel wave0-5-evidence wave0-5-fill-external wave0-5b-generate wave0-5b-filter recalibration-engine recalibration-engine-dry-run validate-policy-version generate-synthetic-lab-results bump-policy-version generate-review-packet failed-candidate-report safe-publication-filter classify-negative-informativeness validate-rejection-events negative-result-dashboard calibration-audit calibration-audit-example calibration-overfit-check result-quality-filter synthetic-result-policy-check calibration-decision-checklist calibration-rollback-plan simulation-registry validate-simulation-result-schema simulation-baseline-check adapter-gate-check simulation-provenance simulation-ensemble-check simulation-ci-report simulation-deprecation-check simulation-scope-check simulation-evidence-packet artifact-version candidate-manifest artifact-changelog integration-check adapter-author-check license-check artifact-compat-check contribution-check adoption-scorecard release-gate-check decision-log release-request-check coi-check rotation-plan-check security-report-check citation-check roadmap-sync-check advisory-review-check annual-review-check selection-rationale-check batch-priority-check pilot-package-check calibration-intake-check uncertainty-report-check preprint-bundle-check reproducibility-manifest-check candidate-summary-card-check multi-candidate-comparison-check pipeline-decision-audit-check claim-to-evidence-check score-decomposition-check reviewer-briefing-check audit-chain-check pre-registration-check dataset-release-check
 
 PYTHON := $(shell [ -f .venv/bin/python ] && echo .venv/bin/python || echo python3)
 PYTEST  := $(shell [ -f .venv/bin/pytest ] && echo .venv/bin/pytest || echo pytest)
@@ -948,6 +948,9 @@ reviewer-briefing-check:
 audit-chain-check:
 	.venv/bin/openamp-foundry audit-chain-check --entry-json '{"chain_id":"ACH-001","batch_id":"BATCH-001","pipeline_version":"0.9.3","audit_date":"2026-07-10","has_sequence_input":true,"has_benchmark_results":true,"has_filter_log":true,"has_score_decomposition":true,"has_selection_rationale":true,"has_evidence_certificate":true,"has_claim_mappings":true,"has_pipeline_decision_audit":true,"has_reviewer_briefing":true,"missing_links":[],"auditor":"test@example.com","dry_lab_only":true}' --format text
 
+pre-registration-check:
+	openamp-foundry pre-registration-check --entry-json '{"registration_id":"PRE-001","batch_id":"BATCH-001","pipeline_version":"0.9.4","registration_date":"2026-07-10","primary_hypothesis":"Candidates selected by OpenAMP will show MIC values at least 2-fold lower than random length/charge-matched peptides in broth microdilution against E. coli ATCC 25922.","primary_outcome_metric":"mic_value","success_threshold":4.0,"baseline_comparators":["random_selection","charge_matched_random"],"candidate_ids":["AMP-001","AMP-002","AMP-003"],"assay_type":"mic_assay","statistical_test":"Mann-Whitney U test, two-sided, alpha=0.05","registered_by":"test@example.com","dry_lab_only":true}' --format text
+
 dataset-release-check:
 	.venv/bin/openamp-foundry dataset-release-check \
 		--entry-json '{"release_id":"DSR-001","dataset_name":"OpenAMP Wave 0.5 Candidates","dataset_version":"1.0.0","release_date":"2026-07-09","license_identifier":"CC-BY-4.0","data_sources":["UniProt AMP database","APD3","in-house pipeline"],"contains_sequences":true,"contains_activity_data":false,"dual_use_assessed":true,"usage_policy_url":"https://openamp.example.org/data-policy","contact_email":"data@openamp.example.org","release_approved":true,"dry_lab_only":true}' \

docs/evidence/METRICS_CURRENT.md

@@ -5,8 +5,9 @@ Machine-readable snapshot: `outputs/metrics_snapshot.json` regenerated with `mak
 > **Purpose:** One authoritative table of current pipeline metrics. If any doc disagrees
 > with this file, this file wins. Updated whenever benchmark/benchmark config changes.
 >
-> **Last updated:** 2026-07-10 (Phase M M5 — audit chain completeness — v0.9.3)
-> **New in v0.9.3:** Audit chain completeness checker (M5 — Loop 132) — docs/evidence/AUDIT_CHAIN_GUIDE.md with purpose, schema fields table (16 fields: chain_id, batch_id, pipeline_version, audit_date, 9 has_* bools, missing_links, auditor, dry_lab_only), 9 required chain links, validation rules (5), warning conditions (2: single auditor, future date), honest-use boundary. src/openamp_foundry/evidence/audit_chain_completeness.py with AuditChainEntry dataclass (16 fields: chain_id, batch_id, pipeline_version, audit_date, 9 has_* bools, missing_links list[str], auditor, dry_lab_only=True), AuditChainResult dataclass (7 fields: chain_id, batch_id, missing_link_count, passed, errors, warnings, dry_lab_only=True), CHAIN_LINK_FIELDS (9 entries), CHAIN_LINK_COUNT (9), AUDITOR_EMAIL_HINT ("@"), IMPLAUSIBLE_YEAR_THRESHOLD (2030), validate_audit_chain() (5+ error checks: ACH- prefix, non-empty auditor, dry_lab_only must be True, each false chain link errors, missing_links consistency; 2 warnings: no email, future date), validate_audit_chain_dict() (15 required fields guard). CLI (openamp-foundry audit-chain-check) with --entry-json, --format text|json. make audit-chain-check target. 39 tests. Phase M M5: the evidence chain is now machine-checkable end to end. Phase M (Audit Trail Infrastructure) is fully complete with M1-M5.
+> **Last updated:** 2026-07-10 (Phase N N1 — pre-registration form — v0.9.4)
+> **New in v0.9.4:** Pre-registration form schema (N1 — Loop 133) — docs/evidence/PRE_REGISTRATION_GUIDE.md with purpose, schema fields table (13 fields: registration_id, batch_id, pipeline_version, registration_date, primary_hypothesis, primary_outcome_metric, success_threshold, baseline_comparators, candidate_ids, assay_type, statistical_test, registered_by, dry_lab_only), 6 valid primary outcome metrics, 5 valid assay types, 10 validation rules, 4 warning conditions, honest-use boundary. PreRegistrationEntry dataclass (13 fields), PreRegistrationResult dataclass (6 fields), validate_pre_registration() (10+ error checks: PRE- prefix, non-empty hypothesis<=500 chars, valid outcome metric, finite success_threshold, >=1 baseline_comparators, >=1 candidate_ids, valid assay_type, non-empty statistical_test<=200 chars, non-empty registered_by, dry_lab_only must be True; 4 warning conditions: no random baseline, large candidate set >20, short hypothesis <50 chars, placeholder statistical test TBD/N/A/NA/none), validate_pre_registration_dict() (12 required fields guard). CLI (openamp-foundry pre-registration-check) with --entry-json, --format text|json. make pre-registration-check target. 62 tests. Phase N (Pre-registration & Baseline Honesty) started with N1.
+> > **New in v0.9.3:** Audit chain completeness checker (M5 — Loop 132) — docs/evidence/AUDIT_CHAIN_GUIDE.md with purpose, schema fields table (16 fields: chain_id, batch_id, pipeline_version, audit_date, 9 has_* bools, missing_links, auditor, dry_lab_only), 9 required chain links, validation rules (5), warning conditions (2: single auditor, future date), honest-use boundary. src/openamp_foundry/evidence/audit_chain_completeness.py with AuditChainEntry dataclass (16 fields: chain_id, batch_id, pipeline_version, audit_date, 9 has_* bools, missing_links list[str], auditor, dry_lab_only=True), AuditChainResult dataclass (7 fields: chain_id, batch_id, missing_link_count, passed, errors, warnings, dry_lab_only=True), CHAIN_LINK_FIELDS (9 entries), CHAIN_LINK_COUNT (9), AUDITOR_EMAIL_HINT ("@"), IMPLAUSIBLE_YEAR_THRESHOLD (2030), validate_audit_chain() (5+ error checks: ACH- prefix, non-empty auditor, dry_lab_only must be True, each false chain link errors, missing_links consistency; 2 warnings: no email, future date), validate_audit_chain_dict() (15 required fields guard). CLI (openamp-foundry audit-chain-check) with --entry-json, --format text|json. make audit-chain-check target. 39 tests. Phase M M5: the evidence chain is now machine-checkable end to end. Phase M (Audit Trail Infrastructure) is fully complete with M1-M5.
 > **New in v0.9.1:** Score decomposition report schema (M3 — Loop 130) — docs/evidence/SCORE_DECOMPOSITION_GUIDE.md with purpose, schema fields table (12 fields), valid scoring methods (6), validation rules (9), warning conditions (4), honest-use boundary. src/openamp_foundry/evidence/score_decomposition_report.py with ScoreDecompositionEntry dataclass (12 fields: report_id, batch_id, candidate_id, pipeline_version, composite_score, component_scores, component_weights, scoring_method, score_range_min, score_range_max, reviewer, dry_lab_only=True), ScoreDecompositionResult dataclass (7 fields: report_id, batch_id, candidate_id, scoring_method, passed, errors, warnings, dry_lab_only=True), VALID_SCORING_METHODS (6: additive_weighted, geometric_mean, harmonic_mean, max_component, min_component, rank_aggregation), MINIMUM_COMPONENTS (2), WEIGHT_SUM_TOLERANCE (0.01), DOMINANT_WEIGHT_THRESHOLD (0.6), UNBALANCED_RATIO_THRESHOLD (5.0), MAX_COMPONENTS_WARNING (8), LOW_SCORE_FRACTION (0.2), validate_score_decomposition() (9 error checks: SDR- prefix, score_range_min<score_range_max, composite_score in range, >=2 components, weight keys match score keys, weights sum to ~1.0, valid scoring_method, non-empty reviewer, dry_lab_only must be True; 4 warning conditions: dominant component, unbalanced weights, many components, low composite score), validate_score_decomposition_dict() (11 required fields guard). CLI (openamp-foundry score-decomposition-check) with --entry-json, --format text|json. make score-decomposition-check target. Phase M M3: every composite score is now machine-decomposable into its named components for external audit.
 > **New in v0.9.0:** Claim-to-evidence mapper schema (M2 — Loop 129) — docs/evidence/CLAIM_TO_EVIDENCE_GUIDE.md with purpose, schema fields table (10 fields), valid claim types (7), validation rules (7), warning conditions (4), honest-use boundary, CLI usage. src/openamp_foundry/evidence/claim_to_evidence_mapper.py with ClaimToEvidenceEntry dataclass (10 fields: mapping_id, batch_id, pipeline_version, claim_text, claim_type, supporting_artifact_ids, evidence_level, pre_specified, reviewer, dry_lab_only=True), ClaimToEvidenceResult dataclass (7 fields: mapping_id, batch_id, claim_type, passed, errors, warnings, dry_lab_only=True), VALID_CLAIM_TYPES (7: activity_prediction, calibration_statement, novelty_claim, performance_comparison, reproducibility_claim, safety_assessment, selection_rationale), VALID_EVIDENCE_LEVELS (6: 1-6), MAX_CLAIM_TEXT_LENGTH (500), LONG_CLAIM_TEXT_THRESHOLD (300), WEAK_EVIDENCE_THRESHOLD (2), validate_claim_to_evidence() (7 error checks: CEM- prefix, non-empty claim_text<=500 chars, valid claim_type, non-empty supporting_artifact_ids, valid evidence_level 1-6, non-empty reviewer, dry_lab_only must be True; 4 warning conditions: post-hoc, weak evidence, single artifact, long claim text), validate_claim_to_evidence_dict() (9 required fields guard). CLI (openamp-foundry claim-to-evidence-check) with --entry-json, --format text|json. make claim-to-evidence-check target. Phase M M2: every scientific claim is now machine-mapped to its supporting artifacts for external audit.
 > **New in v0.8.9:** Pipeline decision audit entry schema (M1 — Loop 128) — docs/evidence/PIPELINE_DECISION_AUDIT_GUIDE.md with purpose, required field table (13 fields), valid decision types (7), warnings, validation workflow, honest-use boundary. src/openamp_foundry/evidence/pipeline_decision_audit.py with PipelineDecisionAuditEntry dataclass (13 fields: audit_id, batch_id, pipeline_version, decision_date, decision_type, decision_description, rationale, alternatives_considered, affected_candidate_count, evidence_level, pre_specified, reviewer, dry_lab_only), PipelineDecisionAuditResult dataclass (5 fields: audit_id, batch_id, decision_type, passed, errors, warnings, dry_lab_only=True), VALID_DECISION_TYPES (7: benchmark_updated, calibration_adjusted, candidate_ranked, candidate_rejected, filter_applied, safety_flag_applied, threshold_chosen), VALID_EVIDENCE_LEVELS (6: 1-6), MAX_DESCRIPTION_LENGTH (500), MAX_RATIONALE_LENGTH (1000), validate_pipeline_decision_audit() (12 checks: AUD- prefix, non-empty batch_id/pipeline_version/reviewer, YYYY-MM-DD decision_date, valid decision_type, non-empty description<=500 chars, non-empty rationale<=1000 chars, affected_candidate_count>=0, valid evidence_level, dry_lab_only must be True; post-hoc warns, empty alternatives warns, low evidence warns, zero affected warns), validate_pipeline_decision_audit_dict() (12 required fields guard). CLI (openamp-foundry pipeline-decision-audit-check) with --entry-json, --format text|json. make pipeline-decision-audit-check target. Phase M M1: every pipeline decision is now machine-validated and traceable for external audit.

docs/evidence/PRE_REGISTRATION_GUIDE.md

@@ -0,0 +1,73 @@
+# Pre-Registration Form Guide
+
+## Purpose
+
+A pre-registration form records what a team commits to test, how they will
+measure success, and what baselines they will compare against — all recorded
+before experimental results are observed. This prevents post-hoc
+rationalization (HARKing: Hypothesising After Results are Known) and makes
+the pipeline's predictions independently falsifiable.
+
+## Schema Fields
+
+| Field | Type | Description |
+|---|---|---|
+| registration_id | str | Unique identifier (prefix "PRE-") |
+| batch_id | str | Candidate batch this registration applies to |
+| pipeline_version | str | Pipeline version at time of registration |
+| registration_date | str | ISO 8601 date of registration (before experiments run) |
+| primary_hypothesis | str | The single main claim being tested (max 500 chars) |
+| primary_outcome_metric | str | How success is measured (see valid metrics) |
+| success_threshold | float | Numeric threshold that constitutes success |
+| baseline_comparators | list[str] | Cheap baselines this must beat (at least 1) |
+| candidate_ids | list[str] | IDs of candidates included in this experiment |
+| assay_type | str | Type of assay to be used (see valid types) |
+| statistical_test | str | Planned statistical test (max 200 chars) |
+| registered_by | str | Person or system that filed this registration |
+| dry_lab_only | bool | Always True (this is a computational pre-commitment) |
+
+## Valid Primary Outcome Metrics
+
+- `fold_change_mic` — fold change in minimum inhibitory concentration
+- `hemolysis_fraction` — fraction of red blood cells lysed
+- `hit_rate` — fraction of candidates meeting activity threshold
+- `mic_value` — raw MIC value in ug/mL
+- `selectivity_index` — ratio of cytotoxicity IC50 to MIC
+- `survival_improvement` — improvement in survival vs. control
+
+## Valid Assay Types
+
+- `cytotoxicity_assay`
+- `hemolysis_assay`
+- `membrane_disruption_assay`
+- `mic_assay`
+- `stability_assay`
+
+## Validation Rules
+
+1. registration_id must start with "PRE-"
+2. primary_hypothesis must not be empty and must not exceed 500 characters
+3. primary_outcome_metric must be one of the valid metrics
+4. success_threshold must be a finite number (not NaN or Inf)
+5. baseline_comparators must contain at least 1 baseline
+6. candidate_ids must contain at least 1 candidate
+7. assay_type must be one of the valid assay types
+8. statistical_test must not be empty and must not exceed 200 characters
+9. registered_by must not be empty
+10. dry_lab_only must be True
+
+## Warning Conditions
+
+- Missing random baseline: "random" not in any baseline_comparators entry → warn that random selection baseline is missing
+- Large candidate set: len(candidate_ids) > 20 → warn about multiple comparisons burden
+- Short hypothesis: primary_hypothesis < 50 chars → warn that hypothesis may be underspecified
+- No statistical test named: statistical_test == "TBD" or "N/A" (case-insensitive) → warn
+
+## Honest Use Boundary
+
+A pre-registration record is a dry-lab commitment document. It does not
+guarantee that the assay will be run, that the hypothesis will be tested fairly,
+or that the statistical test named will be appropriate. Human scientists must
+review this commitment before experiments begin. The value of pre-registration
+comes from committing *before* results are known — retroactively filing a
+pre-registration after seeing results defeats its purpose entirely.