ruff removed unused imports across analysis.py and several test files.
ty caught a wrong dict[int, int] annotation on StreamingStepsDataset's
mat_map (materials are strings) and a real bug in steps_to_parquet.py
where --compression none passed None to polars' write_parquet, which
only accepts the literal "uncompressed". Also narrows a few
Optional-typed attributes (ddpm_schedule, Normalizer.mean/std) with
asserts and aligns __getitem__'s parameter name with torch's Dataset
base class.
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
load_predicted_local now reads predict parquet via a lazy polars scan with
column projection pushed into the reader, instead of materializing the
whole file as a pandas DataFrame. Also adds marginal_table_pl and
constraint_report_pl, polars-native duplicates that read straight from a
predict parquet path/LazyFrame and stay lazy per (group, dim) pair, so
peak memory is one column slice rather than the whole SampleCollection.
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
Provides stratified marginal comparisons, joint-structure checks (correlation
matrices, physically-coupled pairwise plots, direction alignment), and
physical-constraint validation (unit-norm directions, non-negative raw
targets) for a trained model's generated samples, building on the aggregate
marginal/KL check already in giant.validate.
Supports two entry points: live sampling against a checkpoint + val data
(load_model_bundle/collect_samples), or loading a precomputed
`giant predict --coord local` parquet directly (load_predicted_local) without
needing the checkpoint at all. Predict output is now tagged with parquet
schema metadata so the loader can verify a file's format and reject
coord=global or untagged files with a clear error instead of guessing from
column names.
Also extends the config git-hash mismatch warning (added for --config
loading) to checkpoint loading: both `giant predict` and
analysis.load_model_bundle now look for a config.toml next to the checkpoint
and warn (without failing) if it was generated from a different git commit.
Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
step_length already encodes |post_pos - pre_pos| by definition, so a raw
post_pos target would duplicate that magnitude and could drift inconsistent
with step_length during sampling. Instead add travel_dir, a unit vector
(local frame) giving only the direction of pre_pos->post_pos; post_pos is
reconstructed at inference as pre_pos + step_length * travel_dir, keeping
the two self-consistent. Target grows from 6D to 9D.
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
lars