Commit Graph

13 Commits

Author SHA1 Message Date
lars d5853d5a75 Unify dataset/tooling scripts into a single dwarf Typer CLI
Replace the five separately-hyphenated uv entry points (steps-to-parquet,
steps-to-parquet-parallel, migrate-geant-steps, bump-dataset-version,
create-root-files) plus the unregistered hparam_scan.py with one `dwarf`
command exposing convert/migrate/bump-gen/bump-schema/status/
update-manifest/create-manifest/make-root/hparam-scan as subcommands.

Each scripts/*.py module now only holds argparse-free business logic;
scripts/dwarf.py wires it up with Typer, matching giant/cli.py's style.
`dwarf convert` merges the old serial/parallel conversion scripts behind
a --jobs flag (default 1: sequential with plain -o; >1: dataset-layout
fan-out via subprocess).

Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
2026-07-02 09:52:37 +02:00
lars c627142135 Route predict output to UUID-named parquet with YAML reference sidecar
When no --out is given, predictions are written to a UUID-named parquet
(/ceph central store for ceph inputs, sibling directory otherwise) and a
YAML reference file is created next to the checkpoint recording the output
path, dataset, checkpoint, and timestamp. Adds pyyaml as a core dependency
and unit tests for the two new helper functions.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-06-29 09:57:14 +02:00
lars 5be91e0d17 Expose dataset/conversion scripts as uv entry points
scripts/ is now a proper package (scripts/__init__.py, added to the wheel's
packages), with each script registered under [project.scripts] using its
bare dashed name (e.g. `uv run migrate-geant-steps`). Tests now import these
modules normally instead of loading them by file path.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-06-25 16:51:47 +02:00
lars b4ce04e772 Add mean/median deposited energy and step length plots per event
Move ipykernel into the analysis extra instead of a separate
dependency group, since it's needed wherever analysis plotting runs.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-06-24 12:46:17 +02:00
lars 936249a8a0 Rerun validation 2026-06-22 14:40:58 +02:00
lars 46068f356f Add hyperparameter scan 2026-06-22 07:27:02 +02:00
lars 53fd2e4405 Add ruff and ty as dev dependencies, fix lint/type findings
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>
2026-06-18 17:38:40 +02:00
lars c1a8a900d3 Split torch into cpu/cuda extras and pin dependency version bounds
Pins torch to 2.3.x via mutually-exclusive cpu/cuda uv extras (newer
torch requires newer NVIDIA drivers), and adds upper bounds to the
other dependencies based on current PyPI releases.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-06-18 17:30:35 +02:00
lars 80b198c1a5 Add lazy polars I/O and duplicate KL/constraint checks for giant.analysis
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>
2026-06-18 17:06:58 +02:00
lars a867fc4aae Add giant.analysis module for notebook-based model quality diagnostics
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>
2026-06-18 16:36:19 +02:00
lars 2e4b4d91d1 Add ROOT-to-parquet conversion script with convert dependency group
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-06-17 11:27:49 +02:00
lars 93c4d6b74d Add streaming data pipeline and giant CLI entry point
- Streaming pipeline: row-group-level parquet reading (PyArrow) so
  large files never fully land in RAM; Welford online algorithm for
  normalizer fitting; StreamingStepsDataset with shuffle buffer and
  multi-worker file striping; event-ID scan and vocab scan via cheap
  single-column reads
- giant/cli.py: typer-based CLI with `giant train` subcommand, mirroring
  scripts/train.py; --shuffle-buffer flag for RAM control
- pyproject.toml: add typer>=0.12 dependency and giant entry point
- train.py: replace len(loader.dataset) with local counters (compatible
  with IterableDataset which has no __len__)

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-06-17 11:03:48 +02:00
lars 943a044608 Initial commit: giant surrogate model with two-phase roadmap in README
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-06-17 09:29:19 +02:00