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Cleanup configs (#1654)
* Merge against main * Update the configs and python files * Update README too * undo change to paths * This new line character is essential * Undo most changes to the examples for a cleaner PR * trying to organize and de-duplicate configs * Bug fixes for congid consolidation. * undo unneeded changes * Update examples/cfd/external_aerodynamics/unified_external_aero_recipe/tests/test_synthetic_configs.py Co-authored-by: Peter Sharpe <peterdsharpe@gmail.com> * Update examples/cfd/external_aerodynamics/unified_external_aero_recipe/tests/test_synthetic_configs.py Co-authored-by: Peter Sharpe <peterdsharpe@gmail.com> * Clean uop config tests. * ensure first metrics is in the args again * Rmove env defaults for distributed set up on one gpu, for now --------- Co-authored-by: Peter Sharpe <peterdsharpe@gmail.com> Signed-off-by: Kashif Rasul <kashif.rasul@gmail.com>
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‎examples/cfd/external_aerodynamics/unified_external_aero_recipe/README.md‎

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‎examples/cfd/external_aerodynamics/unified_external_aero_recipe/conf/base.yaml‎

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# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES.
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# SPDX-FileCopyrightText: All rights reserved.
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# SPDX-License-Identifier: Apache-2.0
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#
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# Licensed under the Apache License, Version 2.0 (the "License");
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# you may not use this file except in compliance with the License.
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# You may obtain a copy of the License at
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#
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# http://www.apache.org/licenses/LICENSE-2.0
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#
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# Unless required by applicable law or agreed to in writing, software
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# distributed under the License is distributed on an "AS IS" BASIS,
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# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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# See the License for the specific language governing permissions and
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# limitations under the License.
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# ---------------------------------------------------------------------------
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# Universal cross-cutting defaults shared by train.yaml and (eventually)
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# infer.yaml. Anything truly training-only (output_dir, compile,
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# num_epochs, optimizer.lr, scheduler) lives in train.yaml so the
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# inference companion can stay clean of it.
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# ---------------------------------------------------------------------------
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# -- Runtime knobs -----------------------------------------------------------
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precision: "bfloat16"
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profile: false
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augment: false
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benchmark_io: false
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# -- Training fundamentals (the constants every loop needs, regardless
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# of schedule) -----------------------------------------------------------
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training:
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seed: 42
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save_interval: 25
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loss_type: "huber"
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batch_size: 1
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scheduler_update_mode: "epoch"
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optimizer:
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weight_decay: 1.0e-4
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betas: [0.9, 0.999]
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eps: 1.0e-8
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# -- DataLoader / Dataset Performance Tuning --------------------------------
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dataloader:
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prefetch_factor: 1
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num_streams: 1
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use_streams: false
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num_workers: 1
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pin_memory: true
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# -- Logging -----------------------------------------------------------------
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logging:
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log_every_n_steps: 10

‎examples/cfd/external_aerodynamics/unified_external_aero_recipe/conf/model/domino_surface.yaml‎

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# @package _global_
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# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES.
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# SPDX-FileCopyrightText: All rights reserved.
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# SPDX-License-Identifier: Apache-2.0
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#
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# Licensed under the Apache License, Version 2.0 (the "License");
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# you may not use this file except in compliance with the License.
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# You may obtain a copy of the License at
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#
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# http://www.apache.org/licenses/LICENSE-2.0
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#
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# Unless required by applicable law or agreed to in writing, software
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# distributed under the License is distributed on an "AS IS" BASIS,
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# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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# See the License for the specific language governing permissions and
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# limitations under the License.
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# ---------------------------------------------------------------------------
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# DoMINO template -- SURFACE-only recipes. >>> DRAFT (see comments).
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# ---------------------------------------------------------------------------
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# DoMINO uses a geometry-encoding UNet + basis-function architecture
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# that natively handles SDF grids and surface neighbor information.
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# Its forward method accepts a single ``data_dict`` argument; the
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# recipe's forward_kwargs resolver builds that dict by recursing into
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# the nested-dict spec below.
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#
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# >>> NOTE: DoMINO is still in progress in this recipe. The dataset
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# YAML (drivaer_ml_surface.yaml) does not yet expose all the per-cell
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# neighbor / grid features that DoMINO's full `forward(data_dict)`
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# expects. The references below are illustrative; running this config
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# end-to-end requires extending the dataset pipeline with a
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# DoMINO-specific pre-processing stage.
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input_type: tensors
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output_type: tensors
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forward_kwargs:
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data_dict:
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geometry_coordinates: interior.points
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surface_mesh_centers: interior.points
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surface_normals: boundaries.vehicle.cell_data.normals
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global_params_values: global_data.U_inf
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global_params_reference: global_data.U_inf
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model:
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_target_: physicsnemo.models.domino.DoMINO
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input_features: 3 # x, y, z coordinates
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output_features_surf: ${out_dim} # auto-set from the chosen dataset's `targets:` block
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output_features_vol: null # surface-only mode
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global_features: 3 # freestream velocity U_inf (3 components)
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model_parameters:
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interp_res: [128, 64, 64]
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use_sdf_in_basis_func: true
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surface_neighbors: true
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num_neighbors_surface: 7
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use_surface_normals: true
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use_surface_area: true
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geometry_encoding_type: "both"

‎examples/cfd/external_aerodynamics/unified_external_aero_recipe/conf/model/domino_volume.yaml‎

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# @package _global_
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# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES.
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# SPDX-FileCopyrightText: All rights reserved.
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# SPDX-License-Identifier: Apache-2.0
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#
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# Licensed under the Apache License, Version 2.0 (the "License");
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# you may not use this file except in compliance with the License.
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# You may obtain a copy of the License at
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#
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# http://www.apache.org/licenses/LICENSE-2.0
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#
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# Unless required by applicable law or agreed to in writing, software
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# distributed under the License is distributed on an "AS IS" BASIS,
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# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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# See the License for the specific language governing permissions and
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# limitations under the License.
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# ---------------------------------------------------------------------------
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# DoMINO template -- VOLUME-only recipes. >>> DRAFT (see comments).
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# ---------------------------------------------------------------------------
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# >>> NOTE: DoMINO is still in progress in this recipe (the dataset
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# pipeline does not yet expose all the volume-grid / neighbor features
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# DoMINO's full forward expects). The forward_kwargs spec below is
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# illustrative; see the surface variant for context.
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input_type: tensors
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output_type: tensors
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forward_kwargs:
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data_dict:
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geometry_coordinates: interior.points
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volume_mesh_centers: interior.points
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sdf_nodes: interior.point_data.sdf
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global_params_values: global_data.U_inf
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global_params_reference: global_data.U_inf
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model:
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_target_: physicsnemo.models.domino.DoMINO
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input_features: 3 # x, y, z coordinates
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output_features_vol: ${out_dim} # auto-set from the chosen dataset's `targets:` block
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output_features_surf: null # volume-only mode
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global_features: 3 # freestream velocity U_inf (3 components)
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model_parameters:
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interp_res: [128, 64, 64]
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use_sdf_in_basis_func: true
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num_neighbors_volume: 10
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geometry_encoding_type: "both"
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solution_calculation_mode: "two-loop"

‎examples/cfd/external_aerodynamics/unified_external_aero_recipe/conf/model/flare_surface.yaml‎

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# @package _global_
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# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES.
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# SPDX-FileCopyrightText: All rights reserved.
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# SPDX-License-Identifier: Apache-2.0
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#
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# Licensed under the Apache License, Version 2.0 (the "License");
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# you may not use this file except in compliance with the License.
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# You may obtain a copy of the License at
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#
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# http://www.apache.org/licenses/LICENSE-2.0
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#
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# Unless required by applicable law or agreed to in writing, software
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# distributed under the License is distributed on an "AS IS" BASIS,
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# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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# See the License for the specific language governing permissions and
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# limitations under the License.
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# ---------------------------------------------------------------------------
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# FLARE template -- SURFACE recipes.
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# ---------------------------------------------------------------------------
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# FLARE inherits from Transolver and replaces physics attention blocks
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# with FLARE (Fast Low-rank Attention Routing Engine) blocks. TE is
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# not supported, so there are no use_te / plus knobs to configure.
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# Forward signature matches Transolver's, hence the identical
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# forward_kwargs spec.
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input_type: tensors
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output_type: tensors
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forward_kwargs:
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embedding:
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- interior.points
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- boundaries.vehicle.cell_data.normals
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fx:
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source: global_data.U_inf
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expand_like: embedding
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model:
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_target_: physicsnemo.experimental.models.flare.FLARE
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out_dim: ${out_dim} # auto-set from the chosen dataset's `targets:` block
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functional_dim: 3 # fx = freestream velocity U_inf (3)
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embedding_dim: 6 # embedding = points (3) + normals (3)
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n_layers: 12
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n_hidden: 256
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dropout: 0.0
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n_head: 8
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act: "gelu"
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mlp_ratio: 4
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slice_num: 256 # n_global_queries for FLARE attention
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unified_pos: false
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structured_shape: null # unstructured mesh

‎examples/cfd/external_aerodynamics/unified_external_aero_recipe/conf/model/flare_volume.yaml‎

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# @package _global_
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# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES.
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# SPDX-FileCopyrightText: All rights reserved.
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# SPDX-License-Identifier: Apache-2.0
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#
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# Licensed under the Apache License, Version 2.0 (the "License");
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# you may not use this file except in compliance with the License.
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# You may obtain a copy of the License at
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#
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# http://www.apache.org/licenses/LICENSE-2.0
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#
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# Unless required by applicable law or agreed to in writing, software
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# distributed under the License is distributed on an "AS IS" BASIS,
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# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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# See the License for the specific language governing permissions and
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# limitations under the License.
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# ---------------------------------------------------------------------------
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# FLARE template -- VOLUME recipes.
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# ---------------------------------------------------------------------------
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# Same volume forward signature as Transolver volume; only the
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# attention backbone differs.
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input_type: tensors
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output_type: tensors
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forward_kwargs:
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embedding:
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- interior.points
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- interior.point_data.sdf
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- interior.point_data.sdf_normals
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fx:
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source: global_data.U_inf
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expand_like: embedding
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model:
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_target_: physicsnemo.experimental.models.flare.FLARE
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out_dim: ${out_dim} # auto-set from the chosen dataset's `targets:` block
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functional_dim: 3 # fx = freestream velocity U_inf (3)
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embedding_dim: 7 # embedding = points (3) + SDF (1) + SDF normals (3)
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n_layers: 12
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n_hidden: 256
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dropout: 0.0
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n_head: 8
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act: "gelu"
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mlp_ratio: 4
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slice_num: 256 # n_global_queries for FLARE attention
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unified_pos: false
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structured_shape: null # unstructured mesh

‎examples/cfd/external_aerodynamics/unified_external_aero_recipe/conf/model/geotransolver_surface.yaml‎

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# @package _global_
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# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES.
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# SPDX-FileCopyrightText: All rights reserved.
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# SPDX-License-Identifier: Apache-2.0
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#
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# Licensed under the Apache License, Version 2.0 (the "License");
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# you may not use this file except in compliance with the License.
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# You may obtain a copy of the License at
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#
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# http://www.apache.org/licenses/LICENSE-2.0
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#
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# Unless required by applicable law or agreed to in writing, software
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# distributed under the License is distributed on an "AS IS" BASIS,
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# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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# See the License for the specific language governing permissions and
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# limitations under the License.
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# ---------------------------------------------------------------------------
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# GeoTransolver template -- SURFACE recipes (DrivAerML and HiLiftAeroML).
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# ---------------------------------------------------------------------------
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# Bundles the model class, its data contract (input_type / output_type /
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# forward_kwargs), and the surface-scale defaults shared by both
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# DrivAerML and HiLift surface datasets (small radii / neighbor counts,
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# no local-feature path). The forward_kwargs block resolves DomainMesh
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# paths into model.forward(): the dataset YAML produces a DomainMesh
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# whose `interior` is a Mesh[0, 3] point cloud at the (subsampled)
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# surface cell centroids and whose `boundaries.vehicle` is the
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# triangulated surface with precomputed cell normals.
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#
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# Each train_*.yaml overrides `out_dim` (channel count from `targets:`)
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# and, for FA variants, `attention_type` and (sometimes) `state_mixing_mode`.
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input_type: tensors
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output_type: tensors
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forward_kwargs:
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geometry: interior.points
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local_embedding:
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- interior.points
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- boundaries.vehicle.cell_data.normals
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local_positions: interior.points
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global_embedding: global_data.U_inf
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model:
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_target_: physicsnemo.experimental.models.geotransolver.GeoTransolver
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out_dim: ${out_dim} # auto-set from the chosen dataset's `targets:` block
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functional_dim: 6 # local_embedding = geometry coords (3) + normals (3)
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geometry_dim: 3 # point coordinates
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global_dim: 3 # inlet velocity (3)
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n_layers: 12
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n_hidden: 256
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dropout: 0.0
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n_head: 8
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act: "gelu"
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mlp_ratio: 4
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slice_num: 256
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use_te: false
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plus: false
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include_local_features: false
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radii: [0.1, 0.5, 2.0]
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neighbors_in_radius: [16, 32, 64]
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n_hidden_local: 32
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state_mixing_mode: "weighted" # "weighted" (default) or "concat_project"

‎examples/cfd/external_aerodynamics/unified_external_aero_recipe/conf/model/geotransolver_volume.yaml‎

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# @package _global_
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# SPDX-FileCopyrightText: Copyright (c) 2023 - 2026 NVIDIA CORPORATION & AFFILIATES.
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# SPDX-FileCopyrightText: All rights reserved.
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# SPDX-License-Identifier: Apache-2.0
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#
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# Licensed under the Apache License, Version 2.0 (the "License");
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# you may not use this file except in compliance with the License.
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# You may obtain a copy of the License at
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#
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# http://www.apache.org/licenses/LICENSE-2.0
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#
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# Unless required by applicable law or agreed to in writing, software
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# distributed under the License is distributed on an "AS IS" BASIS,
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# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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# See the License for the specific language governing permissions and
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# limitations under the License.
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# ---------------------------------------------------------------------------
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# GeoTransolver template -- VOLUME recipes for DrivAerML.
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# ---------------------------------------------------------------------------
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# Multi-scale radii / neighbor counts span the car body to the far
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# field; `include_local_features` is on so the model consumes the
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# precomputed SDF / SDF-normal channels in interior.point_data. For
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# HiLift volumes (much smaller physical scale, no local-feature path),
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# use geotransolver_volume_highlift.yaml instead.
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#
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# The forward_kwargs block resolves DomainMesh paths into
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# model.forward(): volume dataset YAMLs produce a DomainMesh whose
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# `interior` is the (subsampled) volume mesh carrying both the
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# prediction targets and the precomputed SDF inputs in
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# `interior.point_data`. The contract is satisfied because the loss
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# only extracts target names; non-target fields like `sdf` can be
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# referenced as inputs without contaminating the loss.
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input_type: tensors
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output_type: tensors
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forward_kwargs:
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geometry: interior.points
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local_embedding:
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- interior.points
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- interior.point_data.sdf
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- interior.point_data.sdf_normals
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local_positions: interior.points
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global_embedding: global_data.U_inf
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model:
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_target_: physicsnemo.experimental.models.geotransolver.GeoTransolver
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out_dim: ${out_dim} # auto-set from the chosen dataset's `targets:` block
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functional_dim: 7 # local_embedding = coords (3) + SDF (1) + SDF normals (3)
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geometry_dim: 3 # point coordinates
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global_dim: 3 # inlet velocity (3)
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n_layers: 12
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n_hidden: 256
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dropout: 0.0
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n_head: 8
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act: "gelu"
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mlp_ratio: 4
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slice_num: 256
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use_te: false
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plus: false
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include_local_features: true
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radii: [0.01, 0.05, 0.25, 1.0, 2.5, 5.0]
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neighbors_in_radius: [8, 16, 32, 32, 64, 128]
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n_hidden_local: 32
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state_mixing_mode: "weighted" # "weighted" (default) or "concat_project"

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