From 0778a613604b00daaad1518c6237f027c7eba2f7 Mon Sep 17 00:00:00 2001 From: Lars Bogner Date: Mon, 27 Jul 2026 16:07:30 +0200 Subject: [PATCH] Add opt-in Weights & Biases logging for the training loop giant train --wandb logs the same per-epoch metrics already written to metrics.csv, so wandb stays an optional extra (`uv sync --extra wandb`) that nothing else depends on. A run's id is derived from the checkpoint out_dir so --resume reattaches to the existing run instead of starting a new one. Co-Authored-By: Claude Sonnet 5 --- README.md | 2 +- giant/cli.py | 21 ++++ giant/config.py | 7 ++ giant/pipeline.py | 3 + giant/train.py | 89 ++++++++++---- pyproject.toml | 5 +- uv.lock | 291 +++++++++++++++++++++++++++++++++++++++++++++- 7 files changed, 389 insertions(+), 29 deletions(-) diff --git a/README.md b/README.md index dd21c3c..37beb00 100644 --- a/README.md +++ b/README.md @@ -96,7 +96,7 @@ dwarf build-geometry-oracle path/to/steps.parquet --out oracle.pkl giant rollout path/to/steps.parquet --checkpoint checkpoints/.../best.pt --geometry oracle.pkl ``` -`train`/`predict` accept a TOML config file (`--config`) and CLI overrides for hyperparameters; see `--help` on any command for the full option list. `giant rollout` seeds showers from the highest-energy entry step per event, then autoregressively steps the two-stage model to completion — pushing secondaries as new tracks and looking up `material`/`layer_id` from the oracle at each step. Tracks terminate on energy cutoff, per-track max steps, detector escape, or natural end; energy is deposited locally on every stop except escape (leakage), so showers conserve energy by construction. +`train`/`predict` accept a TOML config file (`--config`) and CLI overrides for hyperparameters; see `--help` on any command for the full option list. `giant train --wandb` logs per-epoch metrics (the same ones written to `metrics.csv`) to Weights & Biases; requires `uv sync --extra wandb`. `giant rollout` seeds showers from the highest-energy entry step per event, then autoregressively steps the two-stage model to completion — pushing secondaries as new tracks and looking up `material`/`layer_id` from the oracle at each step. Tracks terminate on energy cutoff, per-track max steps, detector escape, or natural end; energy is deposited locally on every stop except escape (leakage), so showers conserve energy by construction. ## Validation diff --git a/giant/cli.py b/giant/cli.py index 9ba234f..83fb3d6 100644 --- a/giant/cli.py +++ b/giant/cli.py @@ -399,6 +399,24 @@ def train( Optional[Path], typer.Option("--resume", "-r", help="Checkpoint .pt to resume training from"), ] = None, + wandb: Annotated[ + Optional[bool], + typer.Option( + "--wandb/--no-wandb", + help="Log per-epoch training metrics to Weights & Biases " + "(requires `uv sync --extra wandb`)", + ), + ] = None, + wandb_project: Annotated[ + Optional[str], + typer.Option("--wandb-project", help="W&B project name (default: giant)"), + ] = None, + wandb_run_name: Annotated[ + Optional[str], + typer.Option( + "--wandb-run-name", help="W&B run name (default: out_dir name)" + ), + ] = None, ) -> None: """Train the GIANT surrogate model.""" batch_size_auto = False @@ -436,6 +454,9 @@ def train( "n_critic": n_critic, "gp_weight": gp_weight, "critic_lr": critic_lr, + "wandb": wandb, + "wandb_project": wandb_project, + "wandb_run_name": wandb_run_name, }.items() if v is not None } diff --git a/giant/config.py b/giant/config.py index 2de0df5..5d3dd9f 100644 --- a/giant/config.py +++ b/giant/config.py @@ -35,6 +35,13 @@ DEFAULT_CONFIG: dict = { "n_critic": 5, "gp_weight": 10.0, "critic_lr": 0.0, + # Weights & Biases per-epoch metric logging (opt-in; see giant.train). + # "" for wandb_run_name means "use the checkpoint out_dir name" — not + # None, since save_config's TOML writer has no null literal to + # round-trip. + "wandb": False, + "wandb_project": "giant", + "wandb_run_name": "", }, "model": { "hidden_dim": 256, diff --git a/giant/pipeline.py b/giant/pipeline.py index 6518059..2a7ba31 100644 --- a/giant/pipeline.py +++ b/giant/pipeline.py @@ -259,4 +259,7 @@ def run_train_job( n_critic=t.get("n_critic", 5), gp_weight=t.get("gp_weight", 10.0), critic_lr=t.get("critic_lr") or None, + use_wandb=t.get("wandb", False), + wandb_project=t.get("wandb_project", "giant"), + wandb_run_name=t.get("wandb_run_name", ""), ) diff --git a/giant/train.py b/giant/train.py index 02dda14..8a160a3 100644 --- a/giant/train.py +++ b/giant/train.py @@ -320,10 +320,46 @@ def train( n_critic: int = 5, gp_weight: float = 10.0, critic_lr: float | None = None, + use_wandb: bool = False, + wandb_project: str = "giant", + wandb_run_name: str = "", ) -> None: out_dir = Path(out_dir) out_dir.mkdir(parents=True, exist_ok=True) + wandb_run = None + if use_wandb: + try: + import wandb + except ImportError as exc: + raise RuntimeError( + "train.wandb = true (--wandb) requires the 'wandb' package — " + "install it via `uv sync --extra wandb`" + ) from exc + # `id` is derived from out_dir so resuming a run (--resume) reattaches + # to the same wandb run instead of starting a new one. + wandb_run = wandb.init( + project=wandb_project, + name=wandb_run_name or out_dir.name, + id=out_dir.name, + resume="allow", + config={ + "mode": mode, + "epochs": epochs, + "lr": lr, + "warmup_epochs": warmup_epochs, + "weight_decay": weight_decay, + "ema_decay": ema_decay, + "lambda_nsec": lambda_nsec, + "lambda_s2": lambda_s2, + "lambda_balance": lambda_balance, + "lambda_proc": lambda_proc, + "n_critic": n_critic, + "gp_weight": gp_weight, + "model": model_config or {}, + }, + ) + stage1_model = stage1_model.to(device) sec_decoder = sec_decoder.to(device) if mode == "wgan": @@ -685,32 +721,33 @@ def train( f" lr {current_lr:.2e} gnorm {train_grad_norm:.3f}" f" {epoch_time:.1f}s{marker}" ) - metrics_writer.writerow( - { - "epoch": epoch, - "train_loss": train_loss, - "train_loss_s1": train_s1_sum / max(train_n, 1), - "train_loss_nsec": train_nsec_sum / max(train_n, 1), - "train_loss_s2": train_s2_sum / max(train_n, 1), - "train_loss_balance": train_balance_sum / max(train_n, 1), - "train_loss_proc": train_proc_sum / max(train_n, 1), - "d_loss": train_d_sum / max(train_n, 1), - "g_loss": train_g_sum / max(train_n, 1), - "wasserstein_estimate": train_wasserstein_sum / max(train_n, 1), - "gp_loss": train_gp_sum / max(train_n, 1), - "val_loss": val_loss, - "val_loss_s1": val_s1_sum / max(val_n, 1), - "val_loss_nsec": val_nsec_sum / max(val_n, 1), - "val_loss_s2": val_s2_sum / max(val_n, 1), - "val_loss_balance": val_balance_sum / max(val_n, 1), - "val_loss_proc": val_proc_sum / max(val_n, 1), - "val_marginal_kl": val_marginal_kl, - "lr": current_lr, - "grad_norm": train_grad_norm, - "epoch_time_s": epoch_time, - } - ) + metrics_row = { + "epoch": epoch, + "train_loss": train_loss, + "train_loss_s1": train_s1_sum / max(train_n, 1), + "train_loss_nsec": train_nsec_sum / max(train_n, 1), + "train_loss_s2": train_s2_sum / max(train_n, 1), + "train_loss_balance": train_balance_sum / max(train_n, 1), + "train_loss_proc": train_proc_sum / max(train_n, 1), + "d_loss": train_d_sum / max(train_n, 1), + "g_loss": train_g_sum / max(train_n, 1), + "wasserstein_estimate": train_wasserstein_sum / max(train_n, 1), + "gp_loss": train_gp_sum / max(train_n, 1), + "val_loss": val_loss, + "val_loss_s1": val_s1_sum / max(val_n, 1), + "val_loss_nsec": val_nsec_sum / max(val_n, 1), + "val_loss_s2": val_s2_sum / max(val_n, 1), + "val_loss_balance": val_balance_sum / max(val_n, 1), + "val_loss_proc": val_proc_sum / max(val_n, 1), + "val_marginal_kl": val_marginal_kl, + "lr": current_lr, + "grad_norm": train_grad_norm, + "epoch_time_s": epoch_time, + } + metrics_writer.writerow(metrics_row) metrics_file.flush() + if wandb_run is not None: + wandb_run.log(metrics_row, step=epoch) ckpt: dict = { "model": stage1_model.state_dict(), @@ -756,6 +793,8 @@ def train( break metrics_file.close() + if wandb_run is not None: + wandb_run.finish() if shutdown.requested: print( diff --git a/pyproject.toml b/pyproject.toml index 303071c..0fcf7ea 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -25,11 +25,14 @@ dev = [ "pytest>=8,<10", 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