Add optional HuggingFace Hub checkpoint uploading

pyproject.toml

@@ -48,6 +48,7 @@ docs = [
     "pillow>=10.0.0",
     "cairosvg>=2.7.1"
 ]
+hf = ["huggingface-hub>=0.20.0"]
 zarr_conversion = [
     "fire>=0.5.0",
     "numcodecs>=0.16.3",

src/electrai/callbacks/__init__.py

@@ -0,0 +1,5 @@
+from __future__ import annotations
+
+from electrai.callbacks.hf_upload import HuggingFaceCallback
+
+__all__ = ["HuggingFaceCallback"]

src/electrai/callbacks/hf_upload.py

@@ -0,0 +1,172 @@
+from __future__ import annotations
+
+import json
+import logging
+import shutil
+from pathlib import Path
+from typing import TYPE_CHECKING
+
+from lightning.pytorch.callbacks import Callback
+
+if TYPE_CHECKING:
+    from types import SimpleNamespace
+
+logger = logging.getLogger(__name__)
+
+MANIFEST_FILENAME = "hf_upload_manifest.json"
+
+
+class HuggingFaceCallback(Callback):
+    """Tracks saved checkpoints for deferred upload to HuggingFace Hub.
+
+    On clusters without internet (e.g. Princeton Della), checkpoints are
+    queued in a JSON manifest and uploaded later via ``electrai hf-push``.
+    When ``hf.upload_immediate`` is True, uploads are attempted inline
+    (failures are logged but never crash training).
+    """
+
+    def __init__(self, cfg: SimpleNamespace) -> None:
+        super().__init__()
+        hf = cfg.hf
+        self.repo_id: str = hf["repo_id"]
+        self.every_n_epochs: int = hf.get("upload_every_n_epochs", 5)
+        self.upload_immediate: bool = hf.get("upload_immediate", False)
+        self.ckpt_path = Path(getattr(cfg, "ckpt_path", "./checkpoints"))
+        self.manifest_path = self.ckpt_path / MANIFEST_FILENAME
+        self._manifest: list[dict] = []
+        self._load_existing_manifest()
+
+    def _load_existing_manifest(self) -> None:
+        if self.manifest_path.exists():
+            with self.manifest_path.open(encoding="utf-8") as f:
+                self._manifest = json.load(f)
+
+    def _save_manifest(self) -> None:
+        self.ckpt_path.mkdir(parents=True, exist_ok=True)
+        with self.manifest_path.open("w", encoding="utf-8") as f:
+            json.dump(self._manifest, f, indent=2)
+
+    def _queue_checkpoint(
+        self, ckpt_file: Path, epoch: int | None, *, path_in_repo: str | None = None
+    ) -> None:
+        entry = {
+            "path": str(ckpt_file),
+            "path_in_repo": path_in_repo or ckpt_file.name,
+            "epoch": epoch,
+            "repo_id": self.repo_id,
+            "uploaded": False,
+        }
+        self._manifest.append(entry)
+        self._save_manifest()
+        logger.info("Queued checkpoint for HF upload: %s", ckpt_file.name)
+
+    def on_validation_end(self, trainer, pl_module) -> None:  # noqa: ARG002
+        if trainer.sanity_checking:
+            return
+        epoch = trainer.current_epoch
+        if (epoch + 1) % self.every_n_epochs != 0:
+            return
+        if trainer.global_rank != 0:
+            return
+
+        last_ckpt = self.ckpt_path / "last.ckpt"
+        if not last_ckpt.exists():
+            return
+
+        # Copy to a stable filename so later hf-push uploads the correct
+        # snapshot even after last.ckpt is overwritten by subsequent epochs.
+        stable_name = f"last_epoch{epoch + 1:03d}.ckpt"
+        stable_path = self.ckpt_path / stable_name
+        shutil.copy2(last_ckpt, stable_path)
+
+        self._queue_checkpoint(stable_path, epoch, path_in_repo=stable_name)
+
+        if self.upload_immediate:
+            _upload_single(self._manifest[-1])
+            if self._manifest[-1]["uploaded"]:
+                stable_path.unlink(missing_ok=True)
+            self._save_manifest()
+
+    def on_train_end(self, trainer, pl_module) -> None:  # noqa: ARG002
+        if trainer.global_rank != 0:
+            return
+        # Queue best checkpoints that haven't been queued yet
+        queued_paths = {e["path"] for e in self._manifest}
+        had_immediate = False
+        for ckpt_file in self.ckpt_path.glob("ckpt_*.ckpt"):
+            if str(ckpt_file) not in queued_paths:
+                self._queue_checkpoint(ckpt_file, epoch=None)
+                if self.upload_immediate:
+                    _upload_single(self._manifest[-1])
+                    had_immediate = True
+        if had_immediate:
+            self._save_manifest()
+
+        pending = sum(1 for e in self._manifest if not e["uploaded"])
+        if pending:
+            logger.info(
+                "%d checkpoint(s) pending upload. "
+                "Run 'electrai hf-push --ckpt-path %s' from a node with "
+                "internet access.",
+                pending,
+                self.ckpt_path,
+            )
+
+
+def _upload_single(entry: dict) -> None:
+    """Attempt to upload a single checkpoint. Logs errors, never raises."""
+    path = Path(entry["path"])
+    try:
+        from huggingface_hub import upload_file
+
+        if not path.exists():
+            logger.warning("Checkpoint file not found, skipping: %s", path)
+            return
+        path_in_repo = entry.get("path_in_repo", path.name)
+        upload_file(
+            path_or_fileobj=str(path),
+            path_in_repo=path_in_repo,
+            repo_id=entry["repo_id"],
+        )
+        entry["uploaded"] = True
+        logger.info("Uploaded %s to %s", path.name, entry["repo_id"])
+    except Exception:
+        logger.warning(
+            "HF upload failed for %s (will retry with hf-push)",
+            path.name,
+            exc_info=True,
+        )
+
+
+def hf_push(ckpt_path: str, *, clean: bool = False) -> None:
+    """Upload pending checkpoints from a manifest file.
+
+    Run this from a login node or machine with internet access.
+    """
+    ckpt_dir = Path(ckpt_path)
+    manifest_path = ckpt_dir / MANIFEST_FILENAME
+    if not manifest_path.exists():
+        raise SystemExit(f"No manifest found at {manifest_path}")
+
+    with manifest_path.open(encoding="utf-8") as f:
+        manifest = json.load(f)
+
+    pending = [e for e in manifest if not e["uploaded"]]
+    if not pending:
+        logger.info("All checkpoints already uploaded.")
+        return
+
+    logger.info("Uploading %d pending checkpoint(s)...", len(pending))
+    for entry in pending:
+        _upload_single(entry)
+        if clean and entry["uploaded"]:
+            Path(entry["path"]).unlink(missing_ok=True)
+
+    with manifest_path.open("w", encoding="utf-8") as f:
+        json.dump(manifest, f, indent=2)
+
+    still_pending = sum(1 for e in manifest if not e["uploaded"])
+    if still_pending:
+        logger.warning("%d checkpoint(s) still failed to upload.", still_pending)
+    else:
+        logger.info("All checkpoints uploaded successfully.")

src/electrai/configs/MP/config_resnet.yaml

@@ -43,6 +43,12 @@ wb_pname: mp-experiment
 # checkpoints
 ckpt_path: ./checkpoints
 
+# HuggingFace Hub (optional — install with `uv sync --extra hf`)
+# hf:
+#   repo_id: your-username/your-repo  # must already exist on HF
+#   upload_every_n_epochs: 5
+#   upload_immediate: false  # set true on nodes with internet access
+
 # test the model
 # save_pred: true
 # log_dir: ./logs

src/electrai/configs/MP/config_resunet.yaml

@@ -43,6 +43,12 @@ wb_pname: mp-experiment
 # checkpoints
 ckpt_path: ./checkpoints
 
+# HuggingFace Hub (optional — install with `uv sync --extra hf`)
+# hf:
+#   repo_id: your-username/your-repo  # must already exist on HF
+#   upload_every_n_epochs: 5
+#   upload_immediate: false  # set true on nodes with internet access
+
 # test the model
 # save_pred: true
 # log_dir: ./logs

src/electrai/entrypoints/main.py

@@ -1,6 +1,7 @@
 from __future__ import annotations
 
 import argparse
+import logging
 
 import torch
 
@@ -23,6 +24,7 @@ def main() -> None:
     RuntimeError
         if no command was input
     """
+    logging.basicConfig(level=logging.INFO)
     parser = argparse.ArgumentParser(description="Electrai Entry Point")
     subparsers = parser.add_subparsers(dest="command", required=True)
 
@@ -32,14 +34,28 @@ def main() -> None:
     test_parser = subparsers.add_parser("test", help="Evaluate the model")
     test_parser.add_argument("--config", type=str, required=True)
 
+    hf_push_parser = subparsers.add_parser(
+        "hf-push", help="Upload pending checkpoints to HuggingFace Hub"
+    )
+    hf_push_parser.add_argument(
+        "--ckpt-path", type=str, required=True, help="Path to checkpoint directory"
+    )
+    hf_push_parser.add_argument(
+        "--clean",
+        action="store_true",
+        help="Delete local checkpoint files after successful upload (includes best-model checkpoints)",
+    )
+
     args = parser.parse_args()
 
     if args.command == "train":
         train(args)
     elif args.command == "test":
         test(args)
-    else:
-        raise ValueError(f"Unknown command: {args.command}")
+    elif args.command == "hf-push":
+        from electrai.callbacks.hf_upload import hf_push
+
+        hf_push(args.ckpt_path, clean=args.clean)
 
 
 if __name__ == "__main__":

src/electrai/entrypoints/train.py

@@ -58,6 +58,14 @@ def train(args):
 
     lr_monitor = LearningRateMonitor(logging_interval="epoch")
 
+    callbacks = [checkpoint_cb, lr_monitor]
+
+    hf_cfg = getattr(cfg, "hf", None)
+    if hf_cfg and hf_cfg.get("repo_id"):
+        from electrai.callbacks.hf_upload import HuggingFaceCallback
+
+        callbacks.append(HuggingFaceCallback(cfg))
+
     # -----------------------------
     # Trainer
     # -----------------------------
@@ -69,7 +77,7 @@ def train(args):
     trainer = Trainer(
         max_epochs=int(cfg.epochs),
         logger=wandb_logger,
-        callbacks=[checkpoint_cb, lr_monitor],
+        callbacks=callbacks,
         accelerator="gpu" if torch.cuda.is_available() else "cpu",
         precision=cfg.precision,
         devices="auto",