yangshun2005/openscience-cn/hdf5-pde-data-loading
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Patterns for loading PDE simulation datasets (PDEBench, PhiFlow, JAX-CFD) from HDF5 files. Handles layout detection (single tensor vs separate variables), spatial/temporal downsampling, multi-variable systems, HuggingFace and DaRUS data sources, and efficient PyTorch DataLoader creation. Use when preparing PDE data for neural operator training.
Install
npx vskill@latest install yangshun2005/openscience-cn/hdf5-pde-data-loadingSKILL.md
The same SKILL.md was published earlier as synthetic-sciences/openscience/hdf5-pde-data-loading.
HDF5 PDE Data Loading
When to Use
- Loading PDE simulation datasets stored in HDF5 format
- PDEBench, PhiFlow, JAX-CFD, or custom simulation outputs
- Multi-variable systems (density, velocity, pressure, etc.)
- Need to downsample spatial/temporal dimensions for memory
HDF5 Layout Detection
PDE datasets come in two common layouts:
Layout 1: Single "tensor" dataset
Layout 2: Separate variable datasets
Robust loading (handles both):
Data Sources
HuggingFace Hub (fast CDN, preferred):
Known HF repos: pdebench/Advection, pdebench/Burgers, pdebench/PDEBench NOT on HF: ReacDiff, 1D CFD — use DaRUS instead.
DaRUS (Stuttgart data repository):
Install aria2: apt install aria2 (in Modal: .apt_install("aria2"))
Finding DaRUS file IDs:
PyTorch DataLoader Setup
Downsampling Guidelines
| Original | Downsampled | Factor | Use When | |
|---|---|---|---|---|
| 1024 spatial | 256 | 4× | Smooth problems, standard benchmarks | |
| 1024 spatial | 512 | 2× | Moderate shocks, multi-variable | |
| 1024 spatial | 1024 | 1× | Sharp shocks (ν≤0.001), needs A100 | |
| 200 temporal | 40 | 5× | Standard (10 input + 30 rollout) | |
| 100 temporal | 20 | 5× | Short series (10 input + 10 rollout) |
Warning: Downsampling shocks can destroy them entirely. At 256 points, a shock of width 0.001 spans <1 grid cell.
Common Pitfalls
| Pitfall | Symptom | Fix | |
|---|---|---|---|
| Wrong transpose order | Model diverges | Always: [N,T,X,C] → [N,X,T,C] | |
| Not chunking large reads | OOM during loading | Read in batches of 500 | |
| HF repo doesn't exist | FileNotFoundError | Fall back to DaRUS with aria2c | |
| x-coordinate key missing | Wrong grid spacing | Fall back to linspace | |
| File truncated (partial download) | HDF5 read error | Check file size, re-download | |
| dtype mismatch (float64 vs float32) | Slow training, high memory | Cast to float32 explicitly |
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Source
- SKILL.md in the repositoryCheckingbackend/cli/skills/data-engineering/hdf5-pde-data-loading/SKILL.md
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