Nvidia-physicsnemo

Added

- Initial public release.

Added

- Graph Transformer processor for GraphCast/GenCast.
- Utility to generate STL from Signed Distance Field.
- Metrics for CAE and CFD domain such as integrals, drag, and turbulence invariances and
spectrum.
- Added gradient clipping to StaticCapture utilities.
- Bistride Multiscale MeshGraphNet example.
- FIGConvUNet model and example.
- The Transolver model.
- The XAeroNet model.
- Incoporated CorrDiff-GEFS-HRRR model into CorrDiff, with lead-time aware SongUNet and
cross entropy loss.
- Option to offload checkpoints to further reduce memory usage
- Added StormCast model training and simple inference to examples

Changed

- Refactored CorrDiff training recipe for improved usability
- Fixed timezone calculation in datapipe cosine zenith utility.
- Refactored EDMPrecondSRV2 preconditioner and fixed the bug related to the metadata
- Extended the checkpointing utility to store metadata.
- Corrected missing export of loggin function used by transolver model

Added

- Graph Transformer processor for GraphCast/GenCast.
- Utility to generate STL from Signed Distance Field.
- Metrics for CAE and CFD domain such as integrals, drag, and turbulence invariances and
spectrum.
- Added gradient clipping to StaticCapture utilities.
- Bistride Multiscale MeshGraphNet example.

Changed

- Refactored CorrDiff training recipe for improved usability
- Fixed timezone calculation in datapipe cosine zenith utility.

Added

- Code logging for CorrDiff via Wandb.
- Augmentation pipeline for CorrDiff.
- Regression output as additional conditioning for CorrDiff.
- Learnable positional embedding for CorrDiff.
- Support for patch-based CorrDiff training and generation (stochastic sampling only)
- Enable CorrDiff multi-gpu generation
- Diffusion model for fluid data super-resolution (CMU contribution).
- The Virtual Foundry GraphNet.
- A synthetic dataloader for global weather prediction models, demonstrated on GraphCast.
- Sorted Empirical CDF CRPS algorithm
- Support for history, cos zenith, and downscaling/upscaling in the ERA5 HDF5 dataloader.
- An example showing how to train a "tensor-parallel" version of GraphCast on a
Shallow-Water-Equation example.
- 3D UNet
- AeroGraphNet example of training of MeshGraphNet on Ahmed body and DrivAerNet datasets.
- Warp SDF routine
- DLWP HEALPix model
- Pangu Weather model
- Fengwu model
- SwinRNN model
- Modulated AFNO model

Changed

- Raise `PhysicsNeMoUndefinedGroupError` when querying undefined process groups
- Changed Indexing error in `examples/cfd/swe_nonlinear_pino` for `physicsnemo` loss function
- Safeguarding against uninitialized usage of `DistributedManager`

Removed

- Remove mlflow from deployment image

Fixed

- Fixed bug in the partitioning logic for distributing graph structures
intended for distributed message-passing.
- Fixed bugs for corrdiff diffusion training of `EDMv1` and `EDMv2`
- Fixed bug when trying to save DDP model trained through unified recipe

Dependencies

- Update DALI to CUDA 12 compatible version.
- Update minimum python version to 3.10

Added

- The citation file.
- Link to the CWA dataset.
- ClimateDatapipe: an improved datapipe for HDF5/NetCDF4 formatted climate data
- Performance optimizations to CorrDiff.
- Physics-Informed Nonlinear Shallow Water Equations example.
- Warp neighbor search routine with a minimal example.
- Strict option for loading PhysicsNeMo checkpoints.
- Regression only or diffusion only inference for CorrDiff.
- Support for organization level model files on NGC file system
- Physics-Informed Magnetohydrodynamics example.

Changed

- Updated Ahmed Body and Vortex Shedding examples to use Hydra config.
- Added more config options to FCN AFNO example.
- Moved posiitonal embedding in CorrDiff from the dataloader to network architecture

Deprecated

- `physicsnemo.models.diffusion.preconditioning.EDMPrecondSR`. Use `EDMPecondSRV2` instead.

Removed

- Pickle dependency for CorrDiff.

Fixed

- Consistent handling of single GPU runs in DistributedManager
- Output location of objects downloaded with NGC file system
- Bug in scaling the conditional input in CorrDiff deterministic sampler

Dependencies

- Updated DGL build in Dockerfile
- Updated default base image
- Moved Onnx from optional to required dependencies
- Optional Makani dependency required for SFNO model.

Added

- Distributed process group configuration mechanism.
- DistributedManager utility to instantiate process groups based on a process group config.
- Helper functions to faciliate distributed training with shared parameters.
- Brain anomaly detection example.
- Updated Frechet Inception Distance to use Wasserstein 2-norm with improved stability.
- Molecular Dynamics example.
- Improved usage of GraphPartition, added more flexible ways of defining a partitioned graph.
- Physics-Informed Stokes Flow example.
- Profiling markers, benchmarking and performance optimizations for CorrDiff inference.
- Unified weather model training example.

Changed

- MLFLow logging such that only proc 0 logs to MLFlow.
- FNO given seperate methods for constructing lift and spectral encoder layers.

Removed

- The experimental SFNO

Dependencies

- Removed experimental SFNO dependencies
- Added CorrDiff dependencies (cftime, einops, pyspng, nvtx)
- Made tqdm a required dependency