diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml index 6940972ce..88c741ed1 100644 --- a/.github/workflows/build.yml +++ b/.github/workflows/build.yml @@ -14,12 +14,12 @@ concurrency: cancel-in-progress: ${{ startsWith(github.ref, 'refs/pull/') }} jobs: - build: + build_with_tensorflow_v1: runs-on: ${{ matrix.os }} strategy: fail-fast: false matrix: - python-version: ["3.8", "3.9", "3.10"] + python-version: ["3.8", "3.9", "3.10", "3.11"] os: [ubuntu-latest, macos-latest, windows-latest] steps: @@ -35,36 +35,127 @@ jobs: - name: List environment run: python -m pip freeze - - name: Test build with TensorFlow v1 + - name: Integration tests with TensorFlow v1 env: DDE_BACKEND: tensorflow.compat.v1 run: | python -m pip install tensorflow - python -c "import deepxde" + cd examples/ + make run_all_examples + make clean - - name: Test build with TensorFlow + build_with_tensorflow: + runs-on: ${{ matrix.os }} + strategy: + fail-fast: false + matrix: + python-version: ["3.8", "3.9", "3.10", "3.11"] + os: [ubuntu-latest, macos-latest, windows-latest] + + steps: + - uses: actions/checkout@v3 + + - uses: actions/setup-python@v4 + with: + python-version: ${{ matrix.python-version }} + + - name: Install DeepXDE with requirements + run: python -m pip install -e . + + - name: List environment + run: python -m pip freeze + + - name: Integration tests with TensorFlow env: DDE_BACKEND: tensorflow run: | - python -m pip install tensorflow-probability - python -c "import deepxde" + python -m pip install tensorflow tensorflow-probability + cd examples/ + make run_all_examples + make clean + + build_with_pytorch: + runs-on: ${{ matrix.os }} + strategy: + fail-fast: false + matrix: + python-version: ["3.8", "3.9", "3.10", "3.11"] + os: [ubuntu-latest, macos-latest, windows-latest] + + steps: + - uses: actions/checkout@v3 + + - uses: actions/setup-python@v4 + with: + python-version: ${{ matrix.python-version }} + + - name: Install DeepXDE with requirements + run: python -m pip install -e . + + - name: List environment + run: python -m pip freeze - - name: Test build with PyTorch + - name: Integration tests with PyTorch env: DDE_BACKEND: pytorch run: | python -m pip install torch - python -c "import deepxde" + cd examples/ + make run_all_examples + make clean - - name: Test build with Jax - if: matrix.os != 'windows-latest' # jaxlib is not available on windows + build_with_jax: + runs-on: ${{ matrix.os }} + strategy: + fail-fast: false + matrix: + python-version: ["3.8", "3.9", "3.10", "3.11"] + os: [ubuntu-latest, macos-latest] + + steps: + - uses: actions/checkout@v3 + + - uses: actions/setup-python@v4 + with: + python-version: ${{ matrix.python-version }} + + - name: Install DeepXDE with requirements + run: python -m pip install -e . + + - name: List environment + run: python -m pip freeze + + - name: Integration tests with Jax env: DDE_BACKEND: jax run: | python -m pip install jax flax optax - python -c "import deepxde" + cd examples/ + make run_all_examples + make clean + + build_with_paddle: + runs-on: ${{ matrix.os }} + strategy: + fail-fast: false + matrix: + python-version: ["3.8", "3.9", "3.10", "3.11"] + os: [ubuntu-latest, macos-latest, windows-latest] + + steps: + - uses: actions/checkout@v3 + + - uses: actions/setup-python@v4 + with: + python-version: ${{ matrix.python-version }} + + - name: Install DeepXDE with requirements + run: python -m pip install -e . + + - name: List environment + run: python -m pip freeze - - name: Test build with Paddle + - name: Integration tests with Paddle env: DDE_BACKEND: paddle ubuntu-latest: "https://www.paddlepaddle.org.cn/whl/linux/cpu-mkl/develop.html" @@ -72,4 +163,6 @@ jobs: windows-latest: "https://www.paddlepaddle.org.cn/whl/windows/cpu-mkl-avx/develop.html" run: | python -m pip install paddlepaddle==0.0.0 -f ${{ env[matrix.os] }} - python -c "import deepxde" + cd examples/ + make run_all_examples + make clean diff --git a/deepxde/config.py b/deepxde/config.py index c7809b1bc..cb7ca3fc2 100644 --- a/deepxde/config.py +++ b/deepxde/config.py @@ -1,4 +1,5 @@ import os +import sys import random import numpy as np @@ -52,7 +53,7 @@ elif backend_name == "jax": xla_jit = True if xla_jit: - print("Enable just-in-time compilation with XLA.\n") + print("Enable just-in-time compilation with XLA.\n", file=sys.stderr, flush=True) def default_float(): @@ -179,9 +180,9 @@ def enable_xla_jit(mode=True): global xla_jit xla_jit = mode if xla_jit: - print("Enable just-in-time compilation with XLA.\n") + print("Enable just-in-time compilation with XLA.\n", file=sys.stderr, flush=True) else: - print("Disable just-in-time compilation with XLA.\n") + print("Disable just-in-time compilation with XLA.\n", file=sys.stderr, flush=True) def disable_xla_jit(): diff --git a/docs/demos/pinn_forward/heat.resample.rst b/docs/demos/pinn_forward/heat.resample.rst index 9e5538940..caacc663d 100644 --- a/docs/demos/pinn_forward/heat.resample.rst +++ b/docs/demos/pinn_forward/heat.resample.rst @@ -110,7 +110,7 @@ We then train the model for 20000 iterations: .. code-block:: python - losshistory, train_state = model.train(epochs=200000, callbacks=[pde_resampler]) + losshistory, train_state = model.train(iterations=200000, callbacks=[pde_resampler]) After we train the network using Adam, we continue to train the network using L-BFGS to achieve a smaller loss: diff --git a/docs/demos/pinn_forward/helmholtz.2d.sound.hard.abc.rst b/docs/demos/pinn_forward/helmholtz.2d.sound.hard.abc.rst index 57c7be184..f8666a952 100644 --- a/docs/demos/pinn_forward/helmholtz.2d.sound.hard.abc.rst +++ b/docs/demos/pinn_forward/helmholtz.2d.sound.hard.abc.rst @@ -67,7 +67,7 @@ Then, we begin by defining the general parameters for the problem. The PINN will .. code-block:: python weights = 1 - epochs = 10000 + iterations = 10000 learning_rate = 1e-3 num_dense_layers = 3 num_dense_nodes = 350 @@ -216,7 +216,7 @@ We first train the model for 5000 iterations with Adam optimizer: .. code-block:: python - losshistory, train_state = model.train(epochs=epochs) + losshistory, train_state = model.train(iterations=iterations) Complete code diff --git a/docs/demos/pinn_inverse/lorenz.inverse.rst b/docs/demos/pinn_inverse/lorenz.inverse.rst index 1f8409106..ee9ca6ad0 100644 --- a/docs/demos/pinn_inverse/lorenz.inverse.rst +++ b/docs/demos/pinn_inverse/lorenz.inverse.rst @@ -124,7 +124,7 @@ We then train the model for 60000 iterations: .. code-block:: python - losshistory, train_state = model.train(epochs=60000, callbacks=[variable]) + losshistory, train_state = model.train(iterations=60000, callbacks=[variable]) Complete code -------------- diff --git a/examples/Makefile b/examples/Makefile index fffa58da7..a950c9572 100644 --- a/examples/Makefile +++ b/examples/Makefile @@ -1,5 +1,5 @@ # Directories where to look for *.py example scripts -EXAMPLE_DIRECTORIES := function pinn_forward pinn_inverse +EXAMPLE_DIRECTORIES := function operator pinn_forward pinn_inverse # Environment variables for the scripts # Note that the PYTHONPATH is relative to each example subdirectory, not the @@ -24,12 +24,12 @@ run_all_examples: $(example_files) @echo ----------------------------------------------------- @echo $@ @echo ----------------------------------------------------- - @cd $(dir $@) && $(DDE_TEST_ENV) python ../sample_to_test.py $(notdir $@) | PYTHONPATH=../.. python - + @cd $(dir $@) && $(DDE_TEST_ENV) python3 ../sample_to_test.py $(notdir $@) | PYTHONPATH=../.. python3 - @echo @echo @cd .. # Clean all data files in example directories -clean: $(foreach dir,$(EXAMPLE_DIRECTORIES),$(wildcard $(dir)/*.dat)) $(foreach dir,$(EXAMPLE_DIRECTORIES),$(wildcard $(dir)/*.npz)) +clean: $(foreach dir,$(EXAMPLE_DIRECTORIES),$(wildcard $(dir)/*.dat)) $(foreach dir,$(EXAMPLE_DIRECTORIES),$(wildcard $(dir)/*.npz)) $(foreach dir,$(EXAMPLE_DIRECTORIES),$(wildcard $(dir)/*.pdf)) rm $^ diff --git a/examples/function/loss.dat b/examples/function/loss.dat new file mode 100644 index 000000000..a26288e70 --- /dev/null +++ b/examples/function/loss.dat @@ -0,0 +1,3 @@ +# step, loss_train, loss_test, metrics_test +0.000000000000000000e+00 4.099467849731445312e+01 4.577549743652343750e+01 8.006751537322998047e-01 8.234747314453125000e+01 2.167162132263183594e+01 8.006751537322998047e-01 1.014482021331787109e+00 9.883788228034973145e-01 +1.000000000000000000e+00 4.060080718994140625e+01 4.556640625000000000e+01 7.994772791862487793e-01 8.193739318847656250e+01 2.162880516052246094e+01 7.994772791862487793e-01 1.009474158287048340e+00 9.873472452163696289e-01 diff --git a/examples/function/test.dat b/examples/function/test.dat new file mode 100644 index 000000000..13436826e --- /dev/null +++ b/examples/function/test.dat @@ -0,0 +1,1001 @@ +# x, y_true, y_pred +0.000000000000000000e+00 -8.486394882202148438e+00 3.027209997177124023e+00 -1.882325671613216400e-02 1.392236165702342987e-02 +1.001000986434519291e-03 -8.501179695129394531e+00 2.977621555328369141e+00 -1.848849467933177948e-02 1.438702456653118134e-02 +2.002001972869038582e-03 -8.515960693359375000e+00 2.928038835525512695e+00 -1.815372705459594727e-02 1.485168281942605972e-02 +3.003003075718879700e-03 -8.530733108520507812e+00 2.878472328186035156e+00 -1.781895756721496582e-02 1.531634014099836349e-02 +4.004003945738077164e-03 -8.545494079589843750e+00 2.828932762145996094e+00 -1.748418249189853668e-02 1.578099280595779419e-02 +5.005004815757274628e-03 -8.560235023498535156e+00 2.779430150985717773e+00 -1.714940369129180908e-02 1.624564453959465027e-02 +6.006006151437759399e-03 -8.574953079223632812e+00 2.729974985122680664e+00 -1.681462675333023071e-02 1.671029627323150635e-02 +7.007007021456956863e-03 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+9.696969985961914062e-01 6.814306259155273438e+00 1.423467350006103516e+01 +9.797979593276977539e-01 7.285547256469726562e+00 1.497513580322265625e+01 +9.898989796638488770e-01 7.656015396118164062e+00 1.551405048370361328e+01 +1.000000000000000000e+00 7.914865493774414062e+00 1.582973194122314453e+01 +0.000000000000000000e+00 -8.486394882202148438e+00 3.027209997177124023e+00 +2.000000029802322388e-01 -8.319863319396972656e+00 -6.397269964218139648e-01 +4.000000059604644775e-01 -5.942611217498779297e+00 1.147770509123802185e-01 +6.000000238418579102e-01 -4.074718952178955078e+00 -1.494385600090026855e-01 +8.000000119209289551e-01 -4.474564552307128906e+00 -4.949129104614257812e+00 +1.000000000000000000e+00 7.914865493774414062e+00 1.582973194122314453e+01 diff --git a/examples/pinn_forward/first_derivative.txt b/examples/pinn_forward/first_derivative.txt new file mode 100644 index 000000000..eabb5238d --- /dev/null +++ b/examples/pinn_forward/first_derivative.txt @@ -0,0 +1,2 @@ +0 [2.48e-01, 2.48e-01] +1 [3.72e-01, 3.79e-01] diff --git a/examples/pinn_forward/heat_eq_data.npz b/examples/pinn_forward/heat_eq_data.npz new file mode 100644 index 000000000..e823d913e Binary files /dev/null and b/examples/pinn_forward/heat_eq_data.npz differ diff --git a/examples/pinn_forward/loss.dat b/examples/pinn_forward/loss.dat new file mode 100644 index 000000000..7de6db433 --- /dev/null +++ b/examples/pinn_forward/loss.dat @@ -0,0 +1,4 @@ +# step, loss_train, loss_test, metrics_test +0.000000000000000000e+00 6.349026250000000000e+05 9.820614010095596313e-02 9.375765323638916016e-01 3.142009735107421875e+01 8.232323750000000000e+05 9.820614010095596313e-02 9.375765323638916016e-01 3.142009735107421875e+01 1.045353889465332031e+00 +0.000000000000000000e+00 1.260185813903808594e+01 2.025322198867797852e+00 6.274441719055175781e+00 5.853673934936523438e+00 7.684782028198242188e+00 2.025322198867797852e+00 6.274441719055175781e+00 5.853673934936523438e+00 1.117861390113830566e+00 +1.000000000000000000e+00 7.088011741638183594e+00 1.406821012496948242e+00 5.569013595581054688e+00 3.450345277786254883e+00 6.283582687377929688e+00 1.406821012496948242e+00 5.569013595581054688e+00 3.450345277786254883e+00 1.082962512969970703e+00 diff --git a/examples/pinn_forward/plot_manufactured.pdf b/examples/pinn_forward/plot_manufactured.pdf new file mode 100644 index 000000000..a1fafc1e7 Binary files /dev/null and b/examples/pinn_forward/plot_manufactured.pdf differ diff --git a/examples/pinn_forward/second_derivative.txt b/examples/pinn_forward/second_derivative.txt new file mode 100644 index 000000000..1218a6fa4 --- /dev/null +++ b/examples/pinn_forward/second_derivative.txt @@ -0,0 +1,2 @@ +0 [1.43e-01, -1.43e-01] +1 [1.99e-01, -1.97e-01] diff --git a/examples/pinn_forward/test.dat b/examples/pinn_forward/test.dat new file mode 100644 index 000000000..a4f6dacd6 --- /dev/null +++ b/examples/pinn_forward/test.dat @@ -0,0 +1,11081 @@ +# x, y_true, y_pred 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+1 [9.90e-02, 1.01e-01] diff --git a/examples/sample_to_test.py b/examples/sample_to_test.py index 612c266e8..05b3f3f57 100644 --- a/examples/sample_to_test.py +++ b/examples/sample_to_test.py @@ -9,9 +9,10 @@ import re import sys +import deepxde as dde -EPOCHS_RE = re.compile(r"^(.*)epochs\s*=\s*(\d+)(.*)$", re.DOTALL) +ITERATIONS_RE = re.compile(r"^(.*)iterations\s*=\s*(\d+)(.*)$", re.DOTALL) PROLOG = """ from deepxde.optimizers import set_LBFGS_options @@ -24,9 +25,9 @@ def transform(line, file_name): """Apply transformations to line.""" - m = re.match(EPOCHS_RE, line) + m = re.match(ITERATIONS_RE, line) if m is not None: - line = m.expand(r"\1epochs=1\3") + line = m.expand(r"\1iterations=1\3") # Burgers_RAR.py has an additional convergence loop: force 1 single pass if file_name == "Burgers_RAR.py" and line.startswith("while"): @@ -45,5 +46,42 @@ def transform(line, file_name): print(PROLOG) with open(file_name, "r") as input: - for line in input: - sys.stdout.write(transform(line, file_name)) + if file_name not in ( + # this example uses skopt which is not maintained + # and uses deprecated numpy API + "Allen_Cahn.py", + # the below examples have different code for different + # backends + "Beltrami_flow.py", + "Helmholtz_Dirichlet_2d_HPO.py", + "Laplace_disk.py", + "Lotka_Volterra.py", + "Poisson_Dirichlet_1d.py", + "Poisson_periodic_1d.py", + "diffusion_1d_exactBC.py", + "diffusion_1d_resample.py", + "diffusion_1d.py", + "diffusion_reaction.py", + "fractional_diffusion_1d.py", + "fractional_Poisson_1d.py", + "fractional_Poisson_2d.py", + "fractional_Poisson_3d.py", + "ide.py", + "diffusion_1d_inverse.py", + "fractional_Poisson_1d_inverse.py", + "fractional_Poisson_2d_inverse.py", + "Poisson_Lshape.py", + "ode_system.py", + "Lorenz_inverse.py", + # gives error with tensorflow.compat.v1 + "Volterra_IDE.py", + # the dataset is large and not included in repo + "antiderivative_unaligned.py", + "antiderivative_aligned.py", + ): + lines = input.readlines() + if dde.backend.get_preferred_backend() in lines[0].replace(",", "").replace( + '"""', "" + ).replace("\n", "").split(" "): + for line in lines: + sys.stdout.write(transform(line, file_name))