reproduction-bundle/README.md

# Repro — LOGDIFF Exact Boolean Guidance (ICML 2026)

Reproduction of *Logical Guidance for the Exact Composition of Diffusion Models*
([arXiv:2602.05549](https://arxiv.org/abs/2602.05549), OpenReview `OAM1jJsMGp`)
for the ICML 2026 Agent Reproduction Challenge.

## Claims

1. **Exact score-based logical guidance — verified.** Every nontrivial Boolean
   event over three independent binary categorical variables is compiled into the
   paper's CI-conjunction / ME-disjunction circuit and checked against independent
   full-joint enumeration. With 25 posterior settings this covers 6,350 compiled
   formulas.
2. **Sufficient conditions and Boolean calculus — verified.** Negation,
   conditionally-independent conjunction and disjunction, and mutually-exclusive
   disjunction are each checked directly. Analytic scores are also triangulated
   using finite differences.

Three fail-closed controls deliberately violate conditional independence or use
the constant-weight OR baseline; every invalid construction is rejected.

## Active Claim 4 checkpoint

The bundle now includes an explicitly partial molecular checkpoint under
`outputs/molecular-recovery/partial4/`. Four independent AND ligands completed
the recovered 1,000-step TargetDiff protocol; all four reconstructed to unique
valid molecules and all eight GRM5/RRM1 Vina dockings succeeded at
exhaustiveness 32. Their mean AND product is 64.5327, below the paper's reported
73.20 +/- 3.18, so this checkpoint is evidence of real execution rather than a
claim of headline reproduction. The full 32-ligand AND campaign and the
separate AND-NOT campaign remain active.

## Reproduce

```bash
uv venv --python 3.12 .venv
uv pip install --python .venv/bin/python numpy pytest
source .venv/bin/activate
python repro/src/run_logdiff.py --output-dir outputs --seeds 25
python -m pytest repro/tests -q
```

Official source: `TanjaBien/LogDiff`, pinned commit
`94ef35bafd4b4239e9832d8295128c09e8fc1472`.