【Hackathon 7th PPSCI No.4】NO.4 DrivAerNet 论文复现 (#1047)

* Create ReadME.md

* Add files via upload

* Delete examples/fsi/DrivAerNet directory

* Create ReadME.md

* Add files via upload

* drivaernet

* Delete examples/fsi/DrivAerNet-paddle-convert-main directory

* modify some style

* modify yaml

* update example drivaernet code

* update requirments and delete fsi/DrivAerNet.py etc.

* Update drivaernet_dataset.py

* update drivaernet_dataset.py

* update drivaernet_dataset.py

* Update __init__.py

* Update __init__.py

* Update DrivAerNet.py

* Update DrivAerNet.py

* Update __init__.py

* update

* support fraction of the training data

* modify some error about version

* Update regdgcnn.py

* Delete examples/DrivAerNet/requirments.txt

* Delete docs/zh/examples/drivaernet directory

* Update DriveAerNet.yaml

* Rename DrivAerNet.md to drivaernet.md

* Update mkdocs.yml

* Update drivaernet.md

* Update DriveAerNet.yaml

* Update DrivAerNet.py

* Update DriveAerNet.yaml

* Update DrivAerNet.py

* Update DrivAerNet.py

* Update drivaernet.md

* Update DrivAerNet.py

* Update DriveAerNet.yaml

* Update drivaernet_dataset.py

* Update solver.py

* update metric.md

* Update metric.md

* Update optimizer.md

* Update arch.md

* Update DrivAerNetDataset dataset.md

* Update drivaernet_dataset.py

* Update drivaernet.md

* Update dataset.md

* Update arch.md

* Update lr_scheduler.py

* Delete docs/zh/api/arch.md

* Delete docs/zh/api/data/dataset.md

* Delete ppsci/optimizer/lr_scheduler.py

* Update optimizer.md

* Delete docs/zh/api/optimizer.md

* Create arch.md

* Create dataset.md

* Create optimizer.md

* Update lr_scheduler.md

* Create lr_scheduler.py

* Update solver.py

* Update drivaernet.md

* Update arch.md

* Update dataset.md

* Update lr_scheduler.py

* Update lr_scheduler.md

* Rename DriveAerNet.yaml to driveaernet.yaml

* Update and rename DrivAerNet.py to drivaernet.py

* Rename driveaernet.yaml to drivaernet.yaml

* Update drivaernet.md

* Update r2_score.py

* Update max_ae.py

* Update drivaernet_dataset.py

* Update drivaernet.md

* Update solver.py

* Update solver.py

* Update drivaernet.py

* Create drivaernet

* Delete examples/drivaernet

* Create drivaernet

* Delete examples/drivaernet

* Delete examples/DrivAerNet directory

* Create drivaernet.py

* Create drivaernet.yaml

* Update drivaernet.yaml

* Update drivaernet.md

* Update drivaernet.md

* Update regdgcnn.py

* Update lr_scheduler.py

* Update lr_scheduler.py

* Update solver.py

* Update lr_scheduler.py

* Update examples/drivaernet/drivaernet.py

Co-authored-by: HydrogenSulfate <490868991@qq.com>

* Update examples/drivaernet/conf/drivaernet.yaml

Co-authored-by: HydrogenSulfate <490868991@qq.com>

* Update examples/drivaernet/conf/drivaernet.yaml

Co-authored-by: HydrogenSulfate <490868991@qq.com>

* Update examples/drivaernet/conf/drivaernet.yaml

Co-authored-by: HydrogenSulfate <490868991@qq.com>

* Update examples/drivaernet/drivaernet.py

Co-authored-by: HydrogenSulfate <490868991@qq.com>

* Update ppsci/arch/regdgcnn.py

Co-authored-by: HydrogenSulfate <490868991@qq.com>

* Update ppsci/arch/regdgcnn.py

Co-authored-by: HydrogenSulfate <490868991@qq.com>

* Update regdgcnn.py

* Update lr_scheduler.py

* Update drivaernet_dataset.py

* Update drivaernet_dataset.py

* Update solver.py

* Update ppsci/solver/solver.py

---------

Co-authored-by: HydrogenSulfate <490868991@qq.com>

docs/zh/api/arch.md

@@ -37,5 +37,6 @@
         - USCNN
         - LNO
         - TGCN
+        - RegDGCNN
       show_root_heading: true
       heading_level: 3

docs/zh/api/data/dataset.md

@@ -32,4 +32,5 @@
         - MOlFLOWDataset
         - CGCNNDataset
         - PEMSDataset
+        - DrivAerNetDataset
       show_root_heading: true

docs/zh/api/lr_scheduler.md

@@ -13,5 +13,6 @@
         - OneCycleLR
         - Piecewise
         - Step
+        - ReduceOnPlateau
       show_root_heading: true
       heading_level: 3

docs/zh/api/metric.md

@@ -13,5 +13,7 @@
         - MeanL2Rel
         - MSE
         - RMSE
+        - MaxAE
+        - R2Score
       show_root_heading: true
       heading_level: 3

examples/drivaernet/conf/drivaernet.yaml

@@ -0,0 +1,76 @@
+defaults:
+  - ppsci_default
+  - TRAIN: train_default
+  - TRAIN/ema: ema_default
+  - TRAIN/swa: swa_default
+  - EVAL: eval_default
+  - INFER: infer_default
+  - hydra/job/config/override_dirname/exclude_keys: exclude_keys_default
+  - _self_
+
+hydra:
+  run:
+    dir: outputs_drivaernet/${now:%Y-%m-%d}/${now:%H-%M-%S}/${hydra.job.override_dirname}
+  job:
+    name: ${mode}
+    chdir: false
+  callbacks:
+    init_callback:
+      _target_: ppsci.utils.callbacks.InitCallback
+  sweep:
+    dir: ${hydra.run.dir}
+    subdir: ./
+
+# general settings
+mode: train
+seed: 1
+output_dir: ${hydra:run.dir}
+log_freq: 100
+
+# model settings
+MODEL:
+  input_keys: ["vertices"]
+  output_keys: ["cd_value"]
+  weight_keys: ["weight_keys"]
+  dropout: 0.4
+  emb_dims: 512
+  k: 40
+  output_channels: 1
+
+# training settings
+TRAIN:
+  iters_per_epoch: 2776
+  num_points: 5000
+  epochs: 100
+  num_workers: 32
+  eval_during_train: True
+  train_ids_file: "train_design_ids.txt"
+  eval_ids_file: "val_design_ids.txt"
+  batch_size: 1
+  train_fractions: 1
+  scheduler:
+    mode: "min"
+    patience: 20
+    factor: 0.1
+    verbose: True
+
+# evaluation settings
+EVAL:
+  num_points: 5000
+  batch_size: 2
+  pretrained_model_path: "https://dataset.bj.bcebos.com/PaddleScience/DNNFluid-Car/DrivAer/CdPrediction_DrivAerNet_r2_100epochs_5k_best_model.pdparams"
+  eval_with_no_grad: True
+  ids_file: "test_design_ids.txt"
+  num_workers: 8
+
+# optimizer settings
+optimizer:
+  weight_decay: 0.0001
+  lr: 0.001
+  optimizer: 'adam'
+
+ARGS:
+  # dataset settings
+  dataset_path: 'data/DrivAerNet_Processed_Point_Clouds_5k_paddle'
+  aero_coeff: 'data/AeroCoefficients_DrivAerNet_FilteredCorrected.csv'
+  subset_dir: 'data/subset_dir'

examples/drivaernet/drivaernet.py

@@ -0,0 +1,202 @@
+# Copyright (c) 2024 PaddlePaddle Authors. All Rights Reserved.
+
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+
+#     http://www.apache.org/licenses/LICENSE-2.0
+
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+import warnings
+from functools import partial
+
+import hydra
+import paddle
+from omegaconf import DictConfig
+
+import ppsci
+
+
+def train(cfg: DictConfig):
+    # set model
+    model = ppsci.arch.RegDGCNN(
+        input_keys=cfg.MODEL.input_keys,
+        label_keys=cfg.MODEL.output_keys,
+        weight_keys=cfg.MODEL.weight_keys,
+        args=cfg.MODEL,
+    )
+
+    train_dataloader_cfg = {
+        "dataset": {
+            "name": "DrivAerNetDataset",
+            "root_dir": cfg.ARGS.dataset_path,
+            "input_keys": ("vertices",),
+            "label_keys": ("cd_value",),
+            "weight_keys": ("weight_keys",),
+            "subset_dir": cfg.ARGS.subset_dir,
+            "ids_file": cfg.TRAIN.train_ids_file,
+            "csv_file": cfg.ARGS.aero_coeff,
+            "num_points": cfg.TRAIN.num_points,
+            "train_fractions": cfg.TRAIN.train_fractions,
+            "mode": cfg.mode,
+        },
+        "batch_size": cfg.TRAIN.batch_size,
+        "num_workers": cfg.TRAIN.num_workers,
+    }
+
+    drivaernet_constraint = ppsci.constraint.SupervisedConstraint(
+        train_dataloader_cfg,
+        ppsci.loss.MSELoss("mean"),
+        name="DrivAerNet_constraint",
+    )
+
+    constraint = {drivaernet_constraint.name: drivaernet_constraint}
+
+    valid_dataloader_cfg = {
+        "dataset": {
+            "name": "DrivAerNetDataset",
+            "root_dir": cfg.ARGS.dataset_path,
+            "input_keys": ("vertices",),
+            "label_keys": ("cd_value",),
+            "weight_keys": ("weight_keys",),
+            "subset_dir": cfg.ARGS.subset_dir,
+            "ids_file": cfg.TRAIN.eval_ids_file,
+            "csv_file": cfg.ARGS.aero_coeff,
+            "num_points": cfg.TRAIN.num_points,
+        },
+        "batch_size": cfg.TRAIN.batch_size,
+        "num_workers": cfg.TRAIN.num_workers,
+    }
+
+    drivaernet_valid = ppsci.validate.SupervisedValidator(
+        valid_dataloader_cfg,
+        loss=ppsci.loss.MSELoss("mean"),
+        metric={"MSE": ppsci.metric.MSE()},
+        name="DrivAerNet_valid",
+    )
+
+    validator = {drivaernet_valid.name: drivaernet_valid}
+
+    # set optimizer
+    lr_scheduler = ppsci.optimizer.lr_scheduler.ReduceOnPlateau(
+        epochs=cfg.TRAIN.epochs,
+        iters_per_epoch=(
+            cfg.TRAIN.iters_per_epoch
+            * cfg.TRAIN.train_fractions
+            // (paddle.distributed.get_world_size() * cfg.TRAIN.batch_size)
+            + 1
+        ),
+        learning_rate=cfg.optimizer.lr,
+        mode=cfg.TRAIN.scheduler.mode,
+        patience=cfg.TRAIN.scheduler.patience,
+        factor=cfg.TRAIN.scheduler.factor,
+        verbose=cfg.TRAIN.scheduler.verbose,
+    )()
+
+    optimizer = (
+        ppsci.optimizer.Adam(lr_scheduler, weight_decay=cfg.optimizer.weight_decay)(
+            model
+        )
+        if cfg.optimizer.optimizer == "adam"
+        else ppsci.optimizer.SGD(lr_scheduler, weight_decay=cfg.optimizer.weight_decay)(
+            model
+        )
+    )
+
+    # initialize solver
+    solver = ppsci.solver.Solver(
+        model=model,
+        iters_per_epoch=(
+            cfg.TRAIN.iters_per_epoch
+            * cfg.TRAIN.train_fractions
+            // (paddle.distributed.get_world_size() * cfg.TRAIN.batch_size)
+            + 1
+        ),
+        constraint=constraint,
+        output_dir=cfg.output_dir,
+        optimizer=optimizer,
+        lr_scheduler=lr_scheduler,
+        epochs=cfg.TRAIN.epochs,
+        validator=validator,
+        eval_during_train=cfg.TRAIN.eval_during_train,
+        eval_with_no_grad=cfg.EVAL.eval_with_no_grad,
+    )
+
+    lr_scheduler.step = partial(lr_scheduler.step, metrics=solver.cur_metric)
+    solver.lr_scheduler = lr_scheduler
+
+    # train model
+    solver.train()
+
+    solver.eval()
+
+
+def evaluate(cfg: DictConfig):
+    # set model
+    model = ppsci.arch.RegDGCNN(
+        input_keys=cfg.MODEL.input_keys,
+        label_keys=cfg.MODEL.output_keys,
+        weight_keys=cfg.MODEL.weight_keys,
+        args=cfg.MODEL,
+    )
+
+    valid_dataloader_cfg = {
+        "dataset": {
+            "name": "DrivAerNetDataset",
+            "root_dir": cfg.ARGS.dataset_path,
+            "input_keys": ("vertices",),
+            "label_keys": ("cd_value",),
+            "weight_keys": ("weight_keys",),
+            "subset_dir": cfg.ARGS.subset_dir,
+            "ids_file": cfg.EVAL.ids_file,
+            "csv_file": cfg.ARGS.aero_coeff,
+            "num_points": cfg.EVAL.num_points,
+            "mode": cfg.mode,
+        },
+        "batch_size": cfg.EVAL.batch_size,
+        "num_workers": cfg.EVAL.num_workers,
+    }
+
+    drivaernet_valid = ppsci.validate.SupervisedValidator(
+        valid_dataloader_cfg,
+        loss=ppsci.loss.MSELoss("mean"),
+        metric={
+            "MSE": ppsci.metric.MSE(),
+            "MAE": ppsci.metric.MAE(),
+            "Max AE": ppsci.metric.MaxAE(),
+            "R²": ppsci.metric.R2Score(),
+        },
+        name="DrivAerNet_valid",
+    )
+
+    validator = {drivaernet_valid.name: drivaernet_valid}
+
+    solver = ppsci.solver.Solver(
+        model=model,
+        validator=validator,
+        pretrained_model_path=cfg.EVAL.pretrained_model_path,
+        eval_with_no_grad=cfg.EVAL.eval_with_no_grad,
+    )
+
+    # evaluate model
+    solver.eval()
+
+
+@hydra.main(version_base=None, config_path="./conf", config_name="drivaernet.yaml")
+def main(cfg: DictConfig):
+    warnings.filterwarnings("ignore")
+    if cfg.mode == "train":
+        train(cfg)
+    elif cfg.mode == "eval":
+        evaluate(cfg)
+    else:
+        raise ValueError(f"cfg.mode should in ['train', 'eval'], but got '{cfg.mode}'")
+
+
+if __name__ == "__main__":
+    main()

mkdocs.yml

@@ -75,6 +75,7 @@ nav:
           - tempoGAN: zh/examples/tempoGAN.md
           - NSFNet4: zh/examples/nsfnet4.md
           - ViV: zh/examples/viv.md
+          - DrivAerNet: zh/examples/drivaernet.md
         - 结构:
           - Biharmonic2D: zh/examples/biharmonic2d.md
           - Bracket: zh/examples/bracket.md

ppsci/arch/__init__.py

@@ -59,6 +59,7 @@
 from ppsci.arch.velocitygan import VelocityGenerator  # isort:skip
 from ppsci.arch.moflow_net import MoFlowNet, MoFlowProp  # isort:skip
 from ppsci.utils import logger  # isort:skip
+from ppsci.arch.regdgcnn import RegDGCNN  # isort:skip
 
 __all__ = [
     "MoFlowNet",
@@ -107,6 +108,7 @@
     "USCNN",
     "VelocityDiscriminator",
     "VelocityGenerator",
+    "RegDGCNN",
 ]