wavedl 1.3.1__py3-none-any.whl → 1.4.1__py3-none-any.whl

wavedl/utils/config.py

@@ -116,7 +116,13 @@ def merge_config_with_args(
     """
     # Get parser defaults to detect which args were explicitly set by user
     if parser is not None:
-        defaults = vars(parser.parse_args([]))
+        # Safe extraction: iterate actions instead of parse_args([])
+        # This avoids failures if required arguments are added later
+        defaults = {
+            action.dest: action.default
+            for action in parser._actions
+            if action.dest != "help"
+        }
     else:
         # Fallback: reconstruct defaults from known patterns
         # This works because argparse stores actual values, and we compare
@@ -141,6 +147,9 @@ def merge_config_with_args(
             setattr(args, key, value)
         elif not ignore_unknown:
             logging.warning(f"Unknown config key: {key}")
+        else:
+            # Even in ignore_unknown mode, log for discoverability
+            logging.debug(f"Config key '{key}' ignored: not a valid argument")
 
     return args
 
@@ -188,12 +197,15 @@ def save_config(
     return str(output_path)
 
 
-def validate_config(config: dict[str, Any]) -> list[str]:
+def validate_config(
+    config: dict[str, Any], known_keys: list[str] | None = None
+) -> list[str]:
     """
     Validate configuration values against known options.
 
     Args:
         config: Configuration dictionary
+        known_keys: Optional list of valid keys (if None, uses defaults from parser args)
 
     Returns:
         List of warning messages (empty if valid)
@@ -229,9 +241,83 @@ def validate_config(config: dict[str, Any]) -> list[str]:
     for key, (min_val, max_val, msg) in numeric_checks.items():
         if key in config:
             val = config[key]
+            # Type check: ensure value is numeric before comparison
+            if not isinstance(val, (int, float)):
+                warnings.append(
+                    f"Invalid type for '{key}': expected number, got {type(val).__name__} ({val!r})"
+                )
+                continue
             if not (min_val <= val <= max_val):
                 warnings.append(f"{msg}: got {val}")
 
+    # Check for unknown/unrecognized keys (helps catch typos)
+    # Default known keys based on common training arguments
+    default_known_keys = {
+        # Model
+        "model",
+        "import_modules",
+        # Hyperparameters
+        "batch_size",
+        "lr",
+        "epochs",
+        "patience",
+        "weight_decay",
+        "grad_clip",
+        # Loss
+        "loss",
+        "huber_delta",
+        "loss_weights",
+        # Optimizer
+        "optimizer",
+        "momentum",
+        "nesterov",
+        "betas",
+        # Scheduler
+        "scheduler",
+        "scheduler_patience",
+        "min_lr",
+        "scheduler_factor",
+        "warmup_epochs",
+        "step_size",
+        "milestones",
+        # Data
+        "data_path",
+        "workers",
+        "seed",
+        "single_channel",
+        # Cross-validation
+        "cv",
+        "cv_stratify",
+        "cv_bins",
+        # Checkpointing
+        "resume",
+        "save_every",
+        "output_dir",
+        "fresh",
+        # Performance
+        "compile",
+        "precision",
+        "mixed_precision",
+        # Logging
+        "wandb",
+        "wandb_watch",
+        "project_name",
+        "run_name",
+        # Config
+        "config",
+        "list_models",
+        # Metadata (internal)
+        "_metadata",
+    }
+
+    check_keys = set(known_keys) if known_keys else default_known_keys
+
+    for key in config:
+        if key not in check_keys:
+            warnings.append(
+                f"Unknown config key: '{key}' - check for typos or see wavedl-train --help"
+            )
+
     return warnings
 
 

{wavedl-1.3.1.dist-info → wavedl-1.4.1.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.2
 Name: wavedl
-Version: 1.3.1
+Version: 1.4.1
 Summary: A Scalable Deep Learning Framework for Wave-Based Inverse Problems
 Author: Ductho Le
 License: MIT
@@ -30,31 +30,18 @@ Requires-Dist: scikit-learn>=1.2.0
 Requires-Dist: pandas>=2.0.0
 Requires-Dist: matplotlib>=3.7.0
 Requires-Dist: tqdm>=4.65.0
-Requires-Dist: wandb>=0.15.0
 Requires-Dist: pyyaml>=6.0.0
 Requires-Dist: h5py>=3.8.0
 Requires-Dist: safetensors>=0.3.0
-Provides-Extra: dev
-Requires-Dist: pytest>=7.0.0; extra == "dev"
-Requires-Dist: pytest-xdist>=3.5.0; extra == "dev"
-Requires-Dist: ruff>=0.8.0; extra == "dev"
-Requires-Dist: pre-commit>=3.5.0; extra == "dev"
-Provides-Extra: onnx
-Requires-Dist: onnx>=1.14.0; extra == "onnx"
-Requires-Dist: onnxruntime>=1.15.0; extra == "onnx"
-Provides-Extra: compile
-Requires-Dist: triton; sys_platform == "linux" and extra == "compile"
-Provides-Extra: hpo
-Requires-Dist: optuna>=3.0.0; extra == "hpo"
-Provides-Extra: all
-Requires-Dist: pytest>=7.0.0; extra == "all"
-Requires-Dist: pytest-xdist>=3.5.0; extra == "all"
-Requires-Dist: ruff>=0.8.0; extra == "all"
-Requires-Dist: pre-commit>=3.5.0; extra == "all"
-Requires-Dist: onnx>=1.14.0; extra == "all"
-Requires-Dist: onnxruntime>=1.15.0; extra == "all"
-Requires-Dist: triton; sys_platform == "linux" and extra == "all"
-Requires-Dist: optuna>=3.0.0; extra == "all"
+Requires-Dist: wandb>=0.15.0
+Requires-Dist: optuna>=3.0.0
+Requires-Dist: onnx>=1.14.0
+Requires-Dist: onnxruntime>=1.15.0
+Requires-Dist: pytest>=7.0.0
+Requires-Dist: pytest-xdist>=3.5.0
+Requires-Dist: ruff>=0.8.0
+Requires-Dist: pre-commit>=3.5.0
+Requires-Dist: triton>=2.0.0; sys_platform == "linux"
 
 <div align="center">
 
@@ -210,20 +197,20 @@ Deploy models anywhere:
 
 ### Installation
 
+#### From PyPI (recommended for all users)
+
 ```bash
-# Install from PyPI (recommended)
 pip install wavedl
-
-# Or install with all extras (ONNX export, HPO, dev tools)
-pip install wavedl[all]
 ```
 
+This installs everything you need: training, inference, HPO, ONNX export, and dev tools.
+
 #### From Source (for development)
 
 ```bash
 git clone https://github.com/ductho-le/WaveDL.git
 cd WaveDL
-pip install -e ".[dev]"
+pip install -e .
 ```
 
 > [!NOTE]
@@ -359,41 +346,47 @@ WaveDL handles everything else: training loop, logging, checkpoints, multi-GPU,
 ```
 WaveDL/
 ├── src/
-│   └── wavedl/                # Main package (namespaced)
-│       ├── __init__.py        # Package init with __version__
-│       ├── train.py           # Training entry point
-│       ├── test.py            # Testing & inference script
-│       ├── hpo.py             # Hyperparameter optimization
-│       ├── hpc.py             # HPC distributed training launcher
+│   └── wavedl/                   # Main package (namespaced)
+│       ├── __init__.py           # Package init with __version__
+│       ├── train.py              # Training entry point
+│       ├── test.py               # Testing & inference script
+│       ├── hpo.py                # Hyperparameter optimization
+│       ├── hpc.py                # HPC distributed training launcher
 │       │
-│       ├── models/            # Model architectures
-│       │   ├── registry.py    # Model factory (@register_model)
-│       │   ├── base.py        # Abstract base class
-│       │   ├── cnn.py         # Baseline CNN
-│       │   ├── resnet.py      # ResNet-18/34/50 (1D/2D/3D)
-│       │   ├── efficientnet.py# EfficientNet-B0/B1/B2
-│       │   ├── vit.py         # Vision Transformer (1D/2D)
-│       │   ├── convnext.py    # ConvNeXt (1D/2D/3D)
-│       │   ├── densenet.py    # DenseNet-121/169 (1D/2D/3D)
-│       │   └── unet.py        # U-Net / U-Net Regression
+│       ├── models/               # Model architectures (38 variants)
+│       │   ├── registry.py       # Model factory (@register_model)
+│       │   ├── base.py           # Abstract base class
+│       │   ├── cnn.py            # Baseline CNN (1D/2D/3D)
+│       │   ├── resnet.py         # ResNet-18/34/50 (1D/2D/3D)
+│       │   ├── resnet3d.py       # ResNet3D-18, MC3-18 (3D only)
+│       │   ├── tcn.py            # TCN (1D only)
+│       │   ├── efficientnet.py   # EfficientNet-B0/B1/B2 (2D)
+│       │   ├── efficientnetv2.py # EfficientNetV2-S/M/L (2D)
+│       │   ├── mobilenetv3.py    # MobileNetV3-Small/Large (2D)
+│       │   ├── regnet.py         # RegNetY variants (2D)
+│       │   ├── swin.py           # Swin Transformer (2D)
+│       │   ├── vit.py            # Vision Transformer (1D/2D)
+│       │   ├── convnext.py       # ConvNeXt (1D/2D/3D)
+│       │   ├── densenet.py       # DenseNet-121/169 (1D/2D/3D)
+│       │   └── unet.py           # U-Net Regression
 │       │
-│       └── utils/             # Utilities
-│           ├── data.py        # Memory-mapped data pipeline
-│           ├── metrics.py     # R², Pearson, visualization
-│           ├── distributed.py # DDP synchronization
-│           ├── losses.py      # Loss function factory
-│           ├── optimizers.py  # Optimizer factory
-│           ├── schedulers.py  # LR scheduler factory
-│           └── config.py      # YAML configuration support
+│       └── utils/                # Utilities
+│           ├── data.py           # Memory-mapped data pipeline
+│           ├── metrics.py        # R², Pearson, visualization
+│           ├── distributed.py    # DDP synchronization
+│           ├── losses.py         # Loss function factory
+│           ├── optimizers.py     # Optimizer factory
+│           ├── schedulers.py     # LR scheduler factory
+│           └── config.py         # YAML configuration support
 │
-├── configs/                   # YAML config templates
-├── examples/                  # Ready-to-run examples
-├── notebooks/                 # Jupyter notebooks
-├── unit_tests/                # Pytest test suite (422 tests)
+├── configs/                      # YAML config templates
+├── examples/                     # Ready-to-run examples
+├── notebooks/                    # Jupyter notebooks
+├── unit_tests/                   # Pytest test suite (704 tests)
 │
-├── pyproject.toml             # Package config, dependencies
-├── CHANGELOG.md               # Version history
-└── CITATION.cff               # Citation metadata
+├── pyproject.toml                # Package config, dependencies
+├── CHANGELOG.md                  # Version history
+└── CITATION.cff                  # Citation metadata
 ```
 ---
 
@@ -412,33 +405,63 @@ WaveDL/
 > ```
 
 <details>
-<summary><b>Available Models</b> — 21 pre-built architectures</summary>
-
-| Model | Best For | Params (2D) | Dimensionality |
-|-------|----------|-------------|----------------|
-| `cnn` | Baseline, lightweight | 1.7M | 1D/2D/3D |
-| `resnet18` | Fast training, smaller datasets | 11.4M | 1D/2D/3D |
-| `resnet34` | Balanced performance | 21.5M | 1D/2D/3D |
-| `resnet50` | High capacity, complex patterns | 24.6M | 1D/2D/3D |
-| `resnet18_pretrained` | **Transfer learning** ⭐ | 11.4M | 2D only |
-| `resnet50_pretrained` | **Transfer learning** ⭐ | 24.6M | 2D only |
-| `efficientnet_b0` | Efficient, **pretrained** ⭐ | 4.7M | 2D only |
-| `efficientnet_b1` | Efficient, **pretrained** ⭐ | 7.2M | 2D only |
-| `efficientnet_b2` | Efficient, **pretrained** ⭐ | 8.4M | 2D only |
-| `vit_tiny` | Transformer, small datasets | 5.4M | 1D/2D |
-| `vit_small` | Transformer, balanced | 21.5M | 1D/2D |
-| `vit_base` | Transformer, high capacity | 85.5M | 1D/2D |
-| `convnext_tiny` | Modern CNN, transformer-inspired | 28.2M | 1D/2D/3D |
-| `convnext_tiny_pretrained` | **Transfer learning** ⭐ | 28.2M | 2D only |
-| `convnext_small` | Modern CNN, balanced | 49.8M | 1D/2D/3D |
-| `convnext_base` | Modern CNN, high capacity | 88.1M | 1D/2D/3D |
-| `densenet121` | Feature reuse, small data | 7.5M | 1D/2D/3D |
-| `densenet121_pretrained` | **Transfer learning** ⭐ | 7.5M | 2D only |
-| `densenet169` | Deeper DenseNet | 13.3M | 1D/2D/3D |
-| `unet` | Spatial output (velocity fields) | 31.0M | 1D/2D/3D |
-| `unet_regression` | Multi-scale features for regression | 31.1M | 1D/2D/3D |
-
-> ⭐ **Pretrained models** use ImageNet weights for transfer learning.
+<summary><b>Available Models</b> — 38 architectures</summary>
+
+| Model | Params | Dim |
+|-------|--------|-----|
+| **CNN** — Convolutional Neural Network |||
+| `cnn` | 1.7M | 1D/2D/3D |
+| **ResNet** — Residual Network |||
+| `resnet18` | 11.4M | 1D/2D/3D |
+| `resnet34` | 21.5M | 1D/2D/3D |
+| `resnet50` | 24.6M | 1D/2D/3D |
+| `resnet18_pretrained` ⭐ | 11.4M | 2D |
+| `resnet50_pretrained` ⭐ | 24.6M | 2D |
+| **ResNet3D** — 3D Residual Network |||
+| `resnet3d_18` | 33.6M | 3D |
+| `mc3_18` — Mixed Convolution 3D | 11.9M | 3D |
+| **TCN** — Temporal Convolutional Network |||
+| `tcn_small` | 1.0M | 1D |
+| `tcn` | 7.0M | 1D |
+| `tcn_large` | 10.2M | 1D |
+| **EfficientNet** — Efficient Neural Network |||
+| `efficientnet_b0` ⭐ | 4.7M | 2D |
+| `efficientnet_b1` ⭐ | 7.2M | 2D |
+| `efficientnet_b2` ⭐ | 8.4M | 2D |
+| **EfficientNetV2** — Efficient Neural Network V2 |||
+| `efficientnet_v2_s` ⭐ | 21.0M | 2D |
+| `efficientnet_v2_m` ⭐ | 53.6M | 2D |
+| `efficientnet_v2_l` ⭐ | 118.0M | 2D |
+| **MobileNetV3** — Mobile Neural Network V3 |||
+| `mobilenet_v3_small` ⭐ | 1.1M | 2D |
+| `mobilenet_v3_large` ⭐ | 3.2M | 2D |
+| **RegNet** — Regularized Network |||
+| `regnet_y_400mf` ⭐ | 4.0M | 2D |
+| `regnet_y_800mf` ⭐ | 5.8M | 2D |
+| `regnet_y_1_6gf` ⭐ | 10.5M | 2D |
+| `regnet_y_3_2gf` ⭐ | 18.3M | 2D |
+| `regnet_y_8gf` ⭐ | 37.9M | 2D |
+| **Swin** — Shifted Window Transformer |||
+| `swin_t` ⭐ | 28.0M | 2D |
+| `swin_s` ⭐ | 49.4M | 2D |
+| `swin_b` ⭐ | 87.4M | 2D |
+| **ConvNeXt** — Convolutional Next |||
+| `convnext_tiny` | 28.2M | 1D/2D/3D |
+| `convnext_small` | 49.8M | 1D/2D/3D |
+| `convnext_base` | 88.1M | 1D/2D/3D |
+| `convnext_tiny_pretrained` ⭐ | 28.2M | 2D |
+| **DenseNet** — Densely Connected Network |||
+| `densenet121` | 7.5M | 1D/2D/3D |
+| `densenet169` | 13.3M | 1D/2D/3D |
+| `densenet121_pretrained` ⭐ | 7.5M | 2D |
+| **ViT** — Vision Transformer |||
+| `vit_tiny` | 5.5M | 1D/2D |
+| `vit_small` | 21.6M | 1D/2D |
+| `vit_base` | 85.6M | 1D/2D |
+| **U-Net** — U-shaped Network |||
+| `unet_regression` | 31.1M | 1D/2D/3D |
+
+> ⭐ = Pretrained on ImageNet. Recommended for smaller datasets.
 
 </details>
 
@@ -479,12 +502,32 @@ WaveDL/
 
 | Argument | Default | Description |
 |----------|---------|-------------|
-| `--compile` | `False` | Enable `torch.compile` |
+| `--compile` | `False` | Enable `torch.compile` (recommended for long runs) |
 | `--precision` | `bf16` | Mixed precision mode (`bf16`, `fp16`, `no`) |
+| `--workers` | `-1` | DataLoader workers per GPU (-1=auto, up to 16) |
 | `--wandb` | `False` | Enable W&B logging |
+| `--wandb_watch` | `False` | Enable W&B gradient watching (adds overhead) |
 | `--project_name` | `DL-Training` | W&B project name |
 | `--run_name` | `None` | W&B run name (auto-generated if not set) |
 
+**Automatic GPU Optimizations:**
+
+WaveDL automatically enables performance optimizations for modern GPUs:
+
+| Optimization | Effect | GPU Support |
+|--------------|--------|-------------|
+| **TF32 precision** | ~2x speedup for float32 matmul | A100, H100 (Ampere+) |
+| **cuDNN benchmark** | Auto-tuned convolutions | All NVIDIA GPUs |
+| **Worker scaling** | Up to 16 workers per GPU | All systems |
+
+> [!NOTE]
+> These optimizations are **backward compatible** — they have no effect on older GPUs (V100, T4, GTX) or CPU-only systems. No configuration needed.
+
+**HPC Best Practices:**
+- Stage data to `$SLURM_TMPDIR` (local NVMe) for maximum I/O throughput
+- Use `--compile` for training runs > 50 epochs
+- Increase `--workers` manually if auto-detection is suboptimal
+
 </details>
 
 <details>
@@ -653,12 +696,7 @@ seed: 2025
 
 Automatically find the best training configuration using [Optuna](https://optuna.org/).
 
-**Step 1: Install**
-```bash
-pip install -e ".[hpo]"
-```
-
-**Step 2: Run HPO**
+**Run HPO:**
 
 You specify which models to search and how many trials to run:
 ```bash
@@ -672,7 +710,7 @@ python -m wavedl.hpo --data_path train.npz --models cnn --n_trials 50
 python -m wavedl.hpo --data_path train.npz --models cnn resnet18 resnet50 vit_small densenet121 --n_trials 200
 ```
 
-**Step 3: Train with best parameters**
+**Train with best parameters**
 
 After HPO completes, it prints the optimal command:
 ```bash
@@ -715,7 +753,7 @@ accelerate launch -m wavedl.train --data_path train.npz --model cnn --lr 3.2e-4
 | `--output` | `hpo_results.json` | Output file |
 
 > [!TIP]
-> See [Available Models](#available-models) for all 21 architectures you can search.
+> See [Available Models](#available-models) for all 38 architectures you can search.
 
 </details>
 
@@ -819,7 +857,7 @@ import numpy as np
 X = np.random.randn(1000, 256, 256).astype(np.float32)
 y = np.random.randn(1000, 5).astype(np.float32)
 
-np.savez('test_data.npz', input_train=X, output_train=y)
+np.savez('test_data.npz', input_test=X, output_test=y)
 ```
 
 </details>
@@ -831,7 +869,7 @@ np.savez('test_data.npz', input_train=X, output_train=y)
 import numpy as np
 
 data = np.load('train_data.npz')
-assert data['input_train'].ndim == 3, "Input must be 3D: (N, H, W)"
+assert data['input_train'].ndim >= 2, "Input must be at least 2D: (N, ...) "
 assert data['output_train'].ndim == 2, "Output must be 2D: (N, T)"
 assert len(data['input_train']) == len(data['output_train']), "Sample mismatch"
 
@@ -986,7 +1024,7 @@ Beyond the material characterization example above, the WaveDL pipeline can be a
 | Resource | Description |
 |----------|-------------|
 | Technical Paper | In-depth framework description *(coming soon)* |
-| [`_template.py`](models/_template.py) | Template for new architectures |
+| [`_template.py`](src/wavedl/models/_template.py) | Template for custom architectures |
 
 ---
 

wavedl-1.4.1.dist-info/RECORD

@@ -0,0 +1,37 @@
+wavedl/__init__.py,sha256=2LU5rtHKoYgXBAZ4zGNtFcHjrTtmmYskXnaURHEwkNc,1177
+wavedl/hpc.py,sha256=de_GKERX8GS10sXRX9yXiGzMnk1jjq8JPzRw7QDs6d4,7967
+wavedl/hpo.py,sha256=aZoa_Oto_anZpIhz-YM6kN8KxQXTolUvDEyg3NXwBrY,11542
+wavedl/test.py,sha256=jZmRJaivYYTMMTaccCi0yQjHOfp0a9YWR1wAPeKFH-k,36246
+wavedl/train.py,sha256=e0tX7_j2gkuYpPjZJqGoDV8arAe4bc4YVRMyrg-RcRY,46402
+wavedl/models/__init__.py,sha256=lfSohEnAUztO14nuwayMJhPjpgySzRN3jGiyAUuBmAU,3206
+wavedl/models/_template.py,sha256=J_D8taSPmV8lBaucN_vU-WiG98iFr7CJrZVNNX_Tdts,4600
+wavedl/models/base.py,sha256=T9iDF9IQM2MYucG_ggQd31rieUkB2fob-nkHyNIl2ak,7337
+wavedl/models/cnn.py,sha256=rn2Xmup0w_ll6wuAnYclSeIVazoSUrUGPY-9XnhA1gE,8341
+wavedl/models/convnext.py,sha256=5zELY0ztMB6FxJB9uBurloT7JBdxLXezmrNRzLQjrI0,12846
+wavedl/models/densenet.py,sha256=LzNbQOvtcJJ4SVf-XvIlXGNUgVS2SXl-MMPbr8lcYrA,12995
+wavedl/models/efficientnet.py,sha256=0DHBgEGaOucevtmO1KPUTb5bCdJRg-Gzfpu9EuaylGQ,7456
+wavedl/models/efficientnetv2.py,sha256=rP8y1ZAWyNyi0PXGPXg-4HjgzoELZ-CjMFgr8WnSXeg,10244
+wavedl/models/mobilenetv3.py,sha256=h3f6TiNSyHRH9Qidce7dCGTbdEWYfYF5kbU-TFoTg0U,9490
+wavedl/models/registry.py,sha256=InYAXX2xbRvsFDFnYUPCptJh0F9lHlFPN77A9kqHRT0,2980
+wavedl/models/regnet.py,sha256=Yf9gAoDLv0j4uEuoKC822gizHNh59LCbvFCMP11Q1C0,13116
+wavedl/models/resnet.py,sha256=8DNGIrH5pK8pjEE9BSyBqIc_pkFS_qaYggx-stjTF5k,16961
+wavedl/models/resnet3d.py,sha256=C7CL4XeSnRlIBuwf5Ei-z183uzIBObrXfkM9Iwuc5e0,8746
+wavedl/models/swin.py,sha256=p-okfq3Qm4_neJTxCcMzoHoVzC0BHW3BMnbpr_Ri2U0,13224
+wavedl/models/tcn.py,sha256=RtY13QpFHqz72b4ultv2lStCIDxfvjySVe5JaTx_GaM,12601
+wavedl/models/unet.py,sha256=LqIXhasdBygwP7SZNNmiW1bHMPaJTVBpaeHtPgEHkdU,7790
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