【Hackathon 7th No.1】 Integrate PaddlePaddle as a New Backend

.github/workflows/CI.yml

@@ -81,6 +81,12 @@ jobs:
       - name: "Run Torch tests"
         run: coverage run --append -m pysr test torch
         if: ${{ matrix.test-id == 'main' }}
+      - name: "Install Paddle"
+        run: pip install paddle # (optional import)
+        if: ${{ matrix.test-id == 'main' }}
+      - name: "Run Paddle tests"
+        run: coverage run --append -m pysr test paddle
+        if: ${{ matrix.test-id == 'main' }}
       - name: "Coveralls"
         env:
           GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
@@ -192,7 +198,7 @@ jobs:
             pip install .
             pip install mypy
       - name: "Install additional dependencies"
-        run: python -m pip install jax jaxlib torch
+        run: python -m pip install jax jaxlib torch paddlepaddle
         if: ${{ matrix.python-version != '3.8' }}
       - name: "Run mypy"
         run: python -m mypy --install-types --non-interactive pysr

.github/workflows/CI_Windows.yml

@@ -56,3 +56,7 @@ jobs:
         run: pip install torch # (optional import)
       - name: "Run Torch tests"
         run: python -m pysr test torch
+      - name: "Install Paddle"
+        run: pip install paddlepaddle # (optional import)
+      - name: "Run Paddle tests"
+        run: python -m pysr test paddle

.github/workflows/CI_mac.yml

@@ -60,3 +60,7 @@ jobs:
         run: pip install torch # (optional import)
       - name: "Run Torch tests"
         run: python -m pysr test torch
+      - name: "Install Paddle"
+        run: pip install paddlepaddle # (optional import)
+      - name: "Run Paddle tests"
+        run: python -m pysr test paddle

examples/pysr_demo_paddle.py

@@ -0,0 +1,115 @@
+import os
+
+import numpy as np
+import paddle
+from paddle import nn
+from paddle.io import DataLoader, TensorDataset
+from sklearn.model_selection import train_test_split
+
+os.environ["PYTHON_JULIACALL_THREADS"] = "1"
+
+rstate = np.random.RandomState(0)
+
+N = 100000
+Nt = 10
+X = 6 * rstate.rand(N, Nt, 5) - 3
+y_i = X[..., 0] ** 2 + 6 * np.cos(2 * X[..., 2])
+y = np.sum(y_i, axis=1) / y_i.shape[1]
+z = y**2
+
+
+hidden = 128
+total_steps = 50_000
+
+
+def mlp(size_in, size_out, act=nn.ReLU):
+    return nn.Sequential(
+        nn.Linear(size_in, hidden),
+        act(),
+        nn.Linear(hidden, hidden),
+        act(),
+        nn.Linear(hidden, hidden),
+        act(),
+        nn.Linear(hidden, size_out),
+    )
+
+
+class SumNet(nn.Layer):
+    def __init__(self):
+        super().__init__()
+
+        ########################################################
+        # The same inductive bias as above!
+        self.g = mlp(5, 1)
+        self.f = mlp(1, 1)
+
+    def forward(self, x):
+        y_i = self.g(x)[:, :, 0]
+        y = paddle.sum(y_i, axis=1, keepdim=True) / y_i.shape[1]
+        z = self.f(y)
+        return z[:, 0]
+
+
+Xt = paddle.to_tensor(X).astype("float32")
+zt = paddle.to_tensor(z).astype("float32")
+X_train, X_test, z_train, z_test = train_test_split(Xt, zt, random_state=0)
+train_set = TensorDataset([X_train, z_train])
+train = DataLoader(train_set, batch_size=128, shuffle=True)
+test_set = TensorDataset([X_test, z_test])
+test = DataLoader(test_set, batch_size=256)
+
+paddle.seed(0)
+
+model = SumNet()
+max_lr = 1e-2
+model = paddle.Model(model)
+scheduler = paddle.optimizer.lr.OneCycleLR(
+    max_learning_rate=max_lr, total_steps=total_steps, divide_factor=1e4
+)
+optim = paddle.optimizer.Adam(learning_rate=scheduler, parameters=model.parameters())
+model.prepare(optim, paddle.nn.MSELoss())
+model.fit(train, test, num_iters=total_steps, eval_freq=1000)
+
+np.random.seed(0)
+idx = np.random.randint(0, 10000, size=1000)
+
+X_for_pysr = Xt[idx]
+y_i_for_pysr = model.network.g(X_for_pysr)[:, :, 0]
+y_for_pysr = paddle.sum(y_i_for_pysr, axis=1) / y_i_for_pysr.shape[1]
+z_for_pysr = zt[idx]  # Use true values.
+
+
+nnet_recordings = {
+    "g_input": X_for_pysr.detach().cpu().numpy().reshape(-1, 5),
+    "g_output": y_i_for_pysr.detach().cpu().numpy().reshape(-1),
+    "f_input": y_for_pysr.detach().cpu().numpy().reshape(-1, 1),
+    "f_output": z_for_pysr.detach().cpu().numpy().reshape(-1),
+}
+
+# Save the data for later use:
+import pickle as pkl
+
+with open("nnet_recordings.pkl", "wb") as f:
+    pkl.dump(nnet_recordings, f)
+
+import pickle as pkl
+
+nnet_recordings = pkl.load(open("nnet_recordings.pkl", "rb"))
+f_input = nnet_recordings["f_input"]
+f_output = nnet_recordings["f_output"]
+g_input = nnet_recordings["g_input"]
+g_output = nnet_recordings["g_output"]
+
+
+rstate = np.random.RandomState(0)
+f_sample_idx = rstate.choice(f_input.shape[0], size=500, replace=False)
+from pysr import PySRRegressor
+
+model = PySRRegressor(
+    niterations=50,
+    binary_operators=["+", "-", "*"],
+    unary_operators=["cos", "square"],
+)
+model.fit(g_input[f_sample_idx], g_output[f_sample_idx])
+
+model.equations_[["complexity", "loss", "equation"]]

examples/pysr_demo_pytorch.py

@@ -0,0 +1,144 @@
+import os
+from multiprocessing import cpu_count
+
+import numpy as np
+import pytorch_lightning as pl
+import torch
+from sklearn.model_selection import train_test_split
+from torch import nn
+from torch.nn import functional as F
+from torch.utils.data import DataLoader, TensorDataset
+
+from pysr import PySRRegressor
+
+os.environ["PYTHON_JULIACALL_THREADS"] = "1"
+rstate = np.random.RandomState(0)
+
+N = 100000
+Nt = 10
+X = 6 * rstate.rand(N, Nt, 5) - 3
+y_i = X[..., 0] ** 2 + 6 * np.cos(2 * X[..., 2])
+y = np.sum(y_i, axis=1) / y_i.shape[1]
+z = y**2
+
+
+hidden = 128
+total_steps = 50_000
+
+
+def mlp(size_in, size_out, act=nn.ReLU):
+    return nn.Sequential(
+        nn.Linear(size_in, hidden),
+        act(),
+        nn.Linear(hidden, hidden),
+        act(),
+        nn.Linear(hidden, hidden),
+        act(),
+        nn.Linear(hidden, size_out),
+    )
+
+
+class SumNet(pl.LightningModule):
+    def __init__(self):
+        super().__init__()
+
+        ########################################################
+        # The same inductive bias as above!
+        self.g = mlp(5, 1)
+        self.f = mlp(1, 1)
+
+    def forward(self, x):
+        y_i = self.g(x)[:, :, 0]
+        y = torch.sum(y_i, dim=1, keepdim=True) / y_i.shape[1]
+        z = self.f(y)
+        return z[:, 0]
+
+    ########################################################
+
+    # PyTorch Lightning bookkeeping:
+    def training_step(self, batch, batch_idx):
+        x, z = batch
+        predicted_z = self(x)
+        loss = F.mse_loss(predicted_z, z)
+        return loss
+
+    def validation_step(self, batch, batch_idx):
+        return self.training_step(batch, batch_idx)
+
+    def configure_optimizers(self):
+        optimizer = torch.optim.Adam(self.parameters(), lr=self.max_lr)
+        scheduler = {
+            "scheduler": torch.optim.lr_scheduler.OneCycleLR(
+                optimizer,
+                max_lr=self.max_lr,
+                total_steps=self.trainer.estimated_stepping_batches,
+                final_div_factor=1e4,
+            ),
+            "interval": "step",
+        }
+        return [optimizer], [scheduler]
+
+
+Xt = torch.tensor(X).float()
+zt = torch.tensor(z).float()
+X_train, X_test, z_train, z_test = train_test_split(Xt, zt, random_state=0)
+train_set = TensorDataset(X_train, z_train)
+train = DataLoader(
+    train_set, batch_size=128, num_workers=cpu_count(), shuffle=True, pin_memory=True
+)
+test_set = TensorDataset(X_test, z_test)
+test = DataLoader(test_set, batch_size=256, num_workers=cpu_count(), pin_memory=True)
+
+pl.seed_everything(0)
+model = SumNet()
+model.total_steps = total_steps
+model.max_lr = 1e-2
+
+trainer = pl.Trainer(max_steps=total_steps, accelerator="gpu", devices=1)
+trainer.fit(model, train_dataloaders=train, val_dataloaders=test)
+
+
+np.random.seed(0)
+idx = np.random.randint(0, 10000, size=1000)
+
+X_for_pysr = Xt[idx]
+y_i_for_pysr = model.g(X_for_pysr)[:, :, 0]
+y_for_pysr = torch.sum(y_i_for_pysr, dim=1) / y_i_for_pysr.shape[1]
+z_for_pysr = zt[idx]  # Use true values.
+
+X_for_pysr.shape, y_i_for_pysr.shape
+
+
+nnet_recordings = {
+    "g_input": X_for_pysr.detach().cpu().numpy().reshape(-1, 5),
+    "g_output": y_i_for_pysr.detach().cpu().numpy().reshape(-1),
+    "f_input": y_for_pysr.detach().cpu().numpy().reshape(-1, 1),
+    "f_output": z_for_pysr.detach().cpu().numpy().reshape(-1),
+}
+
+# Save the data for later use:
+import pickle as pkl
+
+with open("nnet_recordings.pkl", "wb") as f:
+    pkl.dump(nnet_recordings, f)
+
+import pickle as pkl
+
+nnet_recordings = pkl.load(open("nnet_recordings.pkl", "rb"))
+f_input = nnet_recordings["f_input"]
+f_output = nnet_recordings["f_output"]
+g_input = nnet_recordings["g_input"]
+g_output = nnet_recordings["g_output"]
+
+
+rstate = np.random.RandomState(0)
+f_sample_idx = rstate.choice(f_input.shape[0], size=500, replace=False)
+
+model = PySRRegressor(
+    niterations=50,
+    binary_operators=["+", "-", "*"],
+    unary_operators=["cos", "square"],
+)
+model.fit(g_input[f_sample_idx], g_output[f_sample_idx])
+
+model.equations_[["complexity", "loss", "equation"]]

pyproject.toml

@@ -5,27 +5,25 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "pysr"
 version = "0.19.4"
-authors = [
-    {name = "Miles Cranmer", email = "[email protected]"},
-]
+authors = [{ name = "Miles Cranmer", email = "[email protected]" }]
 description = "Simple and efficient symbolic regression"
-readme = {file = "README.md", content-type = "text/markdown"}
-license = {file = "LICENSE"}
+readme = { file = "README.md", content-type = "text/markdown" }
+license = { file = "LICENSE" }
 requires-python = ">=3.8"
 classifiers = [
     "Programming Language :: Python :: 3",
     "Operating System :: OS Independent",
-    "License :: OSI Approved :: Apache Software License"
+    "License :: OSI Approved :: Apache Software License",
 ]
 dynamic = ["dependencies"]
 
 [tool.setuptools]
 packages = ["pysr", "pysr._cli", "pysr.test"]
 include-package-data = false
-package-data = {pysr = ["juliapkg.json"]}
+package-data = { pysr = ["juliapkg.json"] }
 
 [tool.setuptools.dynamic]
-dependencies = {file = "requirements.txt"}
+dependencies = { file = "requirements.txt" }
 
 [tool.isort]
 profile = "black"
@@ -38,6 +36,7 @@ dev-dependencies = [
     "mypy>=1.10.0",
     "jax[cpu]>=0.4.26",
     "torch>=2.3.0",
+    "paddlepaddle>=2.6.1",
     "pandas-stubs>=2.2.1.240316",
     "types-pytz>=2024.1.0.20240417",
     "types-openpyxl>=3.1.0.20240428",

pysr/__init__.py

@@ -6,6 +6,7 @@
 from . import sklearn_monkeypatch
 from .deprecated import best, best_callable, best_row, best_tex, install, pysr
 from .export_jax import sympy2jax
+from .export_paddle import sympy2paddle
 from .export_torch import sympy2torch
 from .julia_extensions import load_all_packages
 from .sr import PySRRegressor
@@ -19,6 +20,7 @@
     "sklearn_monkeypatch",
     "sympy2jax",
     "sympy2torch",
+    "sympy2paddle",
     "install",
     "load_all_packages",
     "PySRRegressor",

pysr/_cli/main.py

@@ -10,6 +10,7 @@
     runtests,
     runtests_dev,
     runtests_jax,
+    runtests_paddle,
     runtests_startup,
     runtests_torch,
 )
@@ -48,7 +49,7 @@ def _install(julia_project, quiet, precompile):
     )
 
 
-TEST_OPTIONS = {"main", "jax", "torch", "cli", "dev", "startup"}
+TEST_OPTIONS = {"main", "jax", "torch", "paddle", "cli", "dev", "startup"}
 
 
 @pysr.command("test")
@@ -63,7 +64,7 @@ def _install(julia_project, quiet, precompile):
 def _tests(tests, expressions):
     """Run parts of the PySR test suite.
 
-    Choose from main, jax, torch, cli, dev, and startup. You can give multiple tests, separated by commas.
+    Choose from main, jax, torch, paddle, cli, dev, and startup. You can give multiple tests, separated by commas.
     """
     test_cases = []
     for test in tests.split(","):
@@ -73,6 +74,8 @@ def _tests(tests, expressions):
             test_cases.extend(runtests_jax(just_tests=True))
         elif test == "torch":
             test_cases.extend(runtests_torch(just_tests=True))
+        elif test == "paddle":
+            test_cases.extend(runtests_paddle(just_tests=True))
         elif test == "cli":
             runtests_cli = get_runtests_cli()
             test_cases.extend(runtests_cli(just_tests=True))