Commit Graph

13 Commits

Author SHA1 Message Date
lars 26a176aeaa Add autoregressive shower rollout driver
Closes the loop from single-step prediction into full showers:

- giant/geometry.py + `dwarf build-geometry-oracle`: learn position ->
  (material, layer_id) from data (KNN/SVM) to supply the conditioning the
  surrogate does not predict; flag detector escape by NN distance.
- giant/rollout.py: breadth-first batched frontier that steps all active
  tracks, spawns secondaries as new tracks, and terminates on energy cutoff,
  per-track max steps, escape, or natural end. Energy is deposited locally on
  every stop except escape (leakage), so showers conserve energy exactly.
- `giant rollout` CLI: seed from real events (argmax pre_E), load checkpoint,
  write a world-frame steps parquet + YAML sidecar.
- giant/analysis.py: compute_rollout_observables + plot_rollout_* for
  single-sided longitudinal/transverse/total-energy shower profiles;
  analysis/export_rollout_observables.py driver.
- scikit-learn added as an optional `geometry` extra (lazy-imported).
- Tests: tests/test_geometry.py, tests/test_rollout.py.

Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
2026-07-08 10:10:36 +02:00
lars e5bf7c51cb Fix silent failure modes surfaced by extensive code review
- energy_simplex_encode: warn when clipping post_E to pre_E discards
  recorded edep/e_sec instead of silently zeroing them
- local/inv_local_frame_rotation: validate and normalize pre_dir instead
  of silently assuming unit norm; raise on near-zero-norm rows
- train(): make --lr authoritative on resume instead of being silently
  overwritten by the checkpoint's optimizer/scheduler state; print and
  exit cleanly instead of silently training zero epochs when the
  checkpoint already meets --epochs; truncate metrics.csv on a fresh
  run instead of always appending
- dwarf update-manifest: check file existence for every manifest line,
  not just ones whose gen/schema actually changed
- pyproject.toml: dev extra now pulls in convert+analysis so the
  documented `uv sync --extra cpu --extra dev` + `pytest` actually
  passes collection

Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
2026-07-02 16:54:02 +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 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 6e2fe12a6d Fix installed torch version to be compatible with cuda drivers 2026-06-18 10:06:53 +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 9277d79dff Implement Phase 1: full data pipeline, model, training, and config support
- Data pipeline: loader (parquet→numpy), transforms (log, local-frame
  Rodrigues rotation, Normalizer), StepsDataset with event-ID-based split
- Model: SinusoidalEmbedding, ConditionEncoder, ResBlock, DenoisingMLP
- Schedule: cosine DDPM and conditional flow matching loss (Lipman 2022)
- Samplers: flow (Euler ODE), DDPM ancestral, DDIM deterministic
- Training loop: AdamW + cosine LR, grad clipping, best-val checkpoint
- Validation: per-dimension marginal summary (normalised space)
- CLI: TOML config support with CLI-overrides; hyperparam-encoded output
  directory; config.toml with git hash saved into each run's checkpoint dir
- 21 unit tests covering transforms, network, flow/DDPM losses, dataset splits

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-06-17 10:48:03 +02:00