def test_class(self):
paddle.disable_static()
paddle.device.set_device("npu")
input_shape = (3, 4, 5)
pad = [1, 2]
pad_int = 1
value = 0
input_data = np.random.rand(*input_shape).astype(np.float32)
pad_constant = nn.Pad1D(padding=pad, mode="constant", value=value)
pad_constant_int = nn.Pad1D(padding=pad_int,
mode="constant",
value=value)
data = paddle.to_tensor(input_data)
output = pad_constant(data)
np_out = self._get_numpy_out(input_data,
pad,
"constant",
value=value,
data_format="NCL")
self.assertTrue(np.allclose(output.numpy(), np_out))
output = pad_constant_int(data)
np_out = self._get_numpy_out(input_data, [pad_int] * 2,
"constant",
value=value,
data_format="NCL")
self.assertTrue(np.allclose(output.numpy(), np_out))
def test_class(self):
paddle.disable_static()
for place in self.places:
input_shape = (3, 4, 5)
pad = [1, 2]
pad_int = 1
value = 100
input_data = np.random.rand(*input_shape).astype(np.float32)
pad_reflection = nn.Pad1D(padding=pad, mode="reflect")
pad_replication = nn.Pad1D(padding=pad, mode="replicate")
pad_constant = nn.Pad1D(padding=pad, mode="constant", value=value)
pad_constant_int = nn.Pad1D(padding=pad_int,
mode="constant",
value=value)
pad_circular = nn.Pad1D(padding=pad, mode="circular")
data = paddle.to_tensor(input_data)
output = pad_reflection(data)
np_out = self._get_numpy_out(input_data,
pad,
"reflect",
data_format="NCL")
self.assertTrue(np.allclose(output.numpy(), np_out))
output = pad_replication(data)
np_out = self._get_numpy_out(input_data,
pad,
"replicate",
data_format="NCL")
self.assertTrue(np.allclose(output.numpy(), np_out))
output = pad_constant(data)
np_out = self._get_numpy_out(input_data,
pad,
"constant",
value=value,
data_format="NCL")
self.assertTrue(np.allclose(output.numpy(), np_out))
output = pad_constant_int(data)
np_out = self._get_numpy_out(input_data, [pad_int] * 2,
"constant",
value=value,
data_format="NCL")
self.assertTrue(np.allclose(output.numpy(), np_out))
output = pad_circular(data)
np_out = self._get_numpy_out(input_data,
pad,
"circular",
value=value,
data_format="NCL")
self.assertTrue(np.allclose(output.numpy(), np_out))
def test_ncl():
input_shape = (1, 2, 3, 4)
pad = paddle.to_tensor(np.array([2, 1, 2, 1]).astype('int32'))
data = np.arange(np.prod(input_shape),
dtype=np.float64).reshape(input_shape) + 1
my_pad = nn.Pad1D(padding=pad, mode="replicate", data_format="NCL")
data = paddle.to_tensor(data)
result = my_pad(data)
def forward(self, bond_types_batch, type_count_batch, bond_feat):
"""
Input example:
bond_types_batch: [0,0,2,0,1,2] + [0,0,2,0,1,2] + [2]
type_count_batch: [[3, 3, 0], [1, 1, 0], [2, 2, 1]] # [num_type, batch_size]
"""
bond_feat = self.fc_1(
paddle.reshape(bond_feat, [-1, self.num_angle * self.bond_dim]))
inter_mat_list = []
for type_i in range(self.num_type):
type_i_index = paddle.masked_select(paddle.arange(len(bond_feat)),
bond_types_batch == type_i)
if paddle.sum(type_count_batch[type_i]) == 0:
inter_mat_list.append(
paddle.to_tensor(np.array([0.] *
len(type_count_batch[type_i])),
dtype='float32'))
continue
bond_feat_type_i = paddle.gather(bond_feat, type_i_index)
graph_bond_index = op.get_index_from_counts(
type_count_batch[type_i])
# graph_bond_id = generate_segment_id_from_index(graph_bond_index)
graph_bond_id = generate_segment_id(graph_bond_index)
graph_feat_type_i = math.segment_pool(bond_feat_type_i,
graph_bond_id,
pool_type='sum')
mat_flat_type_i = self.fc_2(graph_feat_type_i).squeeze(1)
# print(graph_bond_id)
# print(graph_bond_id.shape, graph_feat_type_i.shape, mat_flat_type_i.shape)
my_pad = nn.Pad1D(padding=[
0, len(type_count_batch[type_i]) - len(mat_flat_type_i)
],
value=-1e9)
mat_flat_type_i = my_pad(mat_flat_type_i)
inter_mat_list.append(mat_flat_type_i)
inter_mat_batch = paddle.stack(inter_mat_list,
axis=1) # [batch_size, num_type]
inter_mat_mask = paddle.ones_like(inter_mat_batch) * -1e9
inter_mat_batch = paddle.where(
type_count_batch.transpose([1, 0]) > 0, inter_mat_batch,
inter_mat_mask)
inter_mat_batch = self.softmax(inter_mat_batch)
return inter_mat_batch
def func_test_layer_str(self):
module = nn.ELU(0.2)
self.assertEqual(str(module), 'ELU(alpha=0.2)')
module = nn.CELU(0.2)
self.assertEqual(str(module), 'CELU(alpha=0.2)')
module = nn.GELU(True)
self.assertEqual(str(module), 'GELU(approximate=True)')
module = nn.Hardshrink()
self.assertEqual(str(module), 'Hardshrink(threshold=0.5)')
module = nn.Hardswish(name="Hardswish")
self.assertEqual(str(module), 'Hardswish(name=Hardswish)')
module = nn.Tanh(name="Tanh")
self.assertEqual(str(module), 'Tanh(name=Tanh)')
module = nn.Hardtanh(name="Hardtanh")
self.assertEqual(str(module),
'Hardtanh(min=-1.0, max=1.0, name=Hardtanh)')
module = nn.PReLU(1, 0.25, name="PReLU", data_format="NCHW")
self.assertEqual(
str(module),
'PReLU(num_parameters=1, data_format=NCHW, init=0.25, dtype=float32, name=PReLU)'
)
module = nn.ReLU()
self.assertEqual(str(module), 'ReLU()')
module = nn.ReLU6()
self.assertEqual(str(module), 'ReLU6()')
module = nn.SELU()
self.assertEqual(
str(module),
'SELU(scale=1.0507009873554805, alpha=1.6732632423543772)')
module = nn.LeakyReLU()
self.assertEqual(str(module), 'LeakyReLU(negative_slope=0.01)')
module = nn.Sigmoid()
self.assertEqual(str(module), 'Sigmoid()')
module = nn.Hardsigmoid()
self.assertEqual(str(module), 'Hardsigmoid()')
module = nn.Softplus()
self.assertEqual(str(module), 'Softplus(beta=1, threshold=20)')
module = nn.Softshrink()
self.assertEqual(str(module), 'Softshrink(threshold=0.5)')
module = nn.Softsign()
self.assertEqual(str(module), 'Softsign()')
module = nn.Swish()
self.assertEqual(str(module), 'Swish()')
module = nn.Tanhshrink()
self.assertEqual(str(module), 'Tanhshrink()')
module = nn.ThresholdedReLU()
self.assertEqual(str(module), 'ThresholdedReLU(threshold=1.0)')
module = nn.LogSigmoid()
self.assertEqual(str(module), 'LogSigmoid()')
module = nn.Softmax()
self.assertEqual(str(module), 'Softmax(axis=-1)')
module = nn.LogSoftmax()
self.assertEqual(str(module), 'LogSoftmax(axis=-1)')
module = nn.Maxout(groups=2)
self.assertEqual(str(module), 'Maxout(groups=2, axis=1)')
module = nn.Linear(2, 4, name='linear')
self.assertEqual(
str(module),
'Linear(in_features=2, out_features=4, dtype=float32, name=linear)'
)
module = nn.Upsample(size=[12, 12])
self.assertEqual(
str(module),
'Upsample(size=[12, 12], mode=nearest, align_corners=False, align_mode=0, data_format=NCHW)'
)
module = nn.UpsamplingNearest2D(size=[12, 12])
self.assertEqual(
str(module),
'UpsamplingNearest2D(size=[12, 12], data_format=NCHW)')
module = nn.UpsamplingBilinear2D(size=[12, 12])
self.assertEqual(
str(module),
'UpsamplingBilinear2D(size=[12, 12], data_format=NCHW)')
module = nn.Bilinear(in1_features=5, in2_features=4, out_features=1000)
self.assertEqual(
str(module),
'Bilinear(in1_features=5, in2_features=4, out_features=1000, dtype=float32)'
)
module = nn.Dropout(p=0.5)
self.assertEqual(str(module),
'Dropout(p=0.5, axis=None, mode=upscale_in_train)')
module = nn.Dropout2D(p=0.5)
self.assertEqual(str(module), 'Dropout2D(p=0.5, data_format=NCHW)')
module = nn.Dropout3D(p=0.5)
self.assertEqual(str(module), 'Dropout3D(p=0.5, data_format=NCDHW)')
module = nn.AlphaDropout(p=0.5)
self.assertEqual(str(module), 'AlphaDropout(p=0.5)')
module = nn.Pad1D(padding=[1, 2], mode='constant')
self.assertEqual(
str(module),
'Pad1D(padding=[1, 2], mode=constant, value=0.0, data_format=NCL)')
module = nn.Pad2D(padding=[1, 0, 1, 2], mode='constant')
self.assertEqual(
str(module),
'Pad2D(padding=[1, 0, 1, 2], mode=constant, value=0.0, data_format=NCHW)'
)
module = nn.ZeroPad2D(padding=[1, 0, 1, 2])
self.assertEqual(str(module),
'ZeroPad2D(padding=[1, 0, 1, 2], data_format=NCHW)')
module = nn.Pad3D(padding=[1, 0, 1, 2, 0, 0], mode='constant')
self.assertEqual(
str(module),
'Pad3D(padding=[1, 0, 1, 2, 0, 0], mode=constant, value=0.0, data_format=NCDHW)'
)
module = nn.CosineSimilarity(axis=0)
self.assertEqual(str(module), 'CosineSimilarity(axis=0, eps=1e-08)')
module = nn.Embedding(10, 3, sparse=True)
self.assertEqual(str(module), 'Embedding(10, 3, sparse=True)')
module = nn.Conv1D(3, 2, 3)
self.assertEqual(str(module),
'Conv1D(3, 2, kernel_size=[3], data_format=NCL)')
module = nn.Conv1DTranspose(2, 1, 2)
self.assertEqual(
str(module),
'Conv1DTranspose(2, 1, kernel_size=[2], data_format=NCL)')
module = nn.Conv2D(4, 6, (3, 3))
self.assertEqual(str(module),
'Conv2D(4, 6, kernel_size=[3, 3], data_format=NCHW)')
module = nn.Conv2DTranspose(4, 6, (3, 3))
self.assertEqual(
str(module),
'Conv2DTranspose(4, 6, kernel_size=[3, 3], data_format=NCHW)')
module = nn.Conv3D(4, 6, (3, 3, 3))
self.assertEqual(
str(module),
'Conv3D(4, 6, kernel_size=[3, 3, 3], data_format=NCDHW)')
module = nn.Conv3DTranspose(4, 6, (3, 3, 3))
self.assertEqual(
str(module),
'Conv3DTranspose(4, 6, kernel_size=[3, 3, 3], data_format=NCDHW)')
module = nn.PairwiseDistance()
self.assertEqual(str(module), 'PairwiseDistance(p=2.0)')
module = nn.InstanceNorm1D(2)
self.assertEqual(str(module),
'InstanceNorm1D(num_features=2, epsilon=1e-05)')
module = nn.InstanceNorm2D(2)
self.assertEqual(str(module),
'InstanceNorm2D(num_features=2, epsilon=1e-05)')
module = nn.InstanceNorm3D(2)
self.assertEqual(str(module),
'InstanceNorm3D(num_features=2, epsilon=1e-05)')
module = nn.GroupNorm(num_channels=6, num_groups=6)
self.assertEqual(
str(module),
'GroupNorm(num_groups=6, num_channels=6, epsilon=1e-05)')
module = nn.LayerNorm([2, 2, 3])
self.assertEqual(
str(module),
'LayerNorm(normalized_shape=[2, 2, 3], epsilon=1e-05)')
module = nn.BatchNorm1D(1)
self.assertEqual(
str(module),
'BatchNorm1D(num_features=1, momentum=0.9, epsilon=1e-05, data_format=NCL)'
)
module = nn.BatchNorm2D(1)
self.assertEqual(
str(module),
'BatchNorm2D(num_features=1, momentum=0.9, epsilon=1e-05)')
module = nn.BatchNorm3D(1)
self.assertEqual(
str(module),
'BatchNorm3D(num_features=1, momentum=0.9, epsilon=1e-05, data_format=NCDHW)'
)
module = nn.SyncBatchNorm(2)
self.assertEqual(
str(module),
'SyncBatchNorm(num_features=2, momentum=0.9, epsilon=1e-05)')
module = nn.LocalResponseNorm(size=5)
self.assertEqual(
str(module),
'LocalResponseNorm(size=5, alpha=0.0001, beta=0.75, k=1.0)')
module = nn.AvgPool1D(kernel_size=2, stride=2, padding=0)
self.assertEqual(str(module),
'AvgPool1D(kernel_size=2, stride=2, padding=0)')
module = nn.AvgPool2D(kernel_size=2, stride=2, padding=0)
self.assertEqual(str(module),
'AvgPool2D(kernel_size=2, stride=2, padding=0)')
module = nn.AvgPool3D(kernel_size=2, stride=2, padding=0)
self.assertEqual(str(module),
'AvgPool3D(kernel_size=2, stride=2, padding=0)')
module = nn.MaxPool1D(kernel_size=2, stride=2, padding=0)
self.assertEqual(str(module),
'MaxPool1D(kernel_size=2, stride=2, padding=0)')
module = nn.MaxPool2D(kernel_size=2, stride=2, padding=0)
self.assertEqual(str(module),
'MaxPool2D(kernel_size=2, stride=2, padding=0)')
module = nn.MaxPool3D(kernel_size=2, stride=2, padding=0)
self.assertEqual(str(module),
'MaxPool3D(kernel_size=2, stride=2, padding=0)')
module = nn.AdaptiveAvgPool1D(output_size=16)
self.assertEqual(str(module), 'AdaptiveAvgPool1D(output_size=16)')
module = nn.AdaptiveAvgPool2D(output_size=3)
self.assertEqual(str(module), 'AdaptiveAvgPool2D(output_size=3)')
module = nn.AdaptiveAvgPool3D(output_size=3)
self.assertEqual(str(module), 'AdaptiveAvgPool3D(output_size=3)')
module = nn.AdaptiveMaxPool1D(output_size=16, return_mask=True)
self.assertEqual(
str(module), 'AdaptiveMaxPool1D(output_size=16, return_mask=True)')
module = nn.AdaptiveMaxPool2D(output_size=3, return_mask=True)
self.assertEqual(str(module),
'AdaptiveMaxPool2D(output_size=3, return_mask=True)')
module = nn.AdaptiveMaxPool3D(output_size=3, return_mask=True)
self.assertEqual(str(module),
'AdaptiveMaxPool3D(output_size=3, return_mask=True)')
module = nn.SimpleRNNCell(16, 32)
self.assertEqual(str(module), 'SimpleRNNCell(16, 32)')
module = nn.LSTMCell(16, 32)
self.assertEqual(str(module), 'LSTMCell(16, 32)')
module = nn.GRUCell(16, 32)
self.assertEqual(str(module), 'GRUCell(16, 32)')
module = nn.PixelShuffle(3)
self.assertEqual(str(module), 'PixelShuffle(upscale_factor=3)')
module = nn.SimpleRNN(16, 32, 2)
self.assertEqual(
str(module),
'SimpleRNN(16, 32, num_layers=2\n (0): RNN(\n (cell): SimpleRNNCell(16, 32)\n )\n (1): RNN(\n (cell): SimpleRNNCell(32, 32)\n )\n)'
)
module = nn.LSTM(16, 32, 2)
self.assertEqual(
str(module),
'LSTM(16, 32, num_layers=2\n (0): RNN(\n (cell): LSTMCell(16, 32)\n )\n (1): RNN(\n (cell): LSTMCell(32, 32)\n )\n)'
)
module = nn.GRU(16, 32, 2)
self.assertEqual(
str(module),
'GRU(16, 32, num_layers=2\n (0): RNN(\n (cell): GRUCell(16, 32)\n )\n (1): RNN(\n (cell): GRUCell(32, 32)\n )\n)'
)
module1 = nn.Sequential(
('conv1', nn.Conv2D(1, 20, 5)), ('relu1', nn.ReLU()),
('conv2', nn.Conv2D(20, 64, 5)), ('relu2', nn.ReLU()))
self.assertEqual(
str(module1),
'Sequential(\n '\
'(conv1): Conv2D(1, 20, kernel_size=[5, 5], data_format=NCHW)\n '\
'(relu1): ReLU()\n '\
'(conv2): Conv2D(20, 64, kernel_size=[5, 5], data_format=NCHW)\n '\
'(relu2): ReLU()\n)'
)
module2 = nn.Sequential(
nn.Conv3DTranspose(4, 6, (3, 3, 3)),
nn.AvgPool3D(kernel_size=2, stride=2, padding=0),
nn.Tanh(name="Tanh"), module1, nn.Conv3D(4, 6, (3, 3, 3)),
nn.MaxPool3D(kernel_size=2, stride=2, padding=0), nn.GELU(True))
self.assertEqual(
str(module2),
'Sequential(\n '\
'(0): Conv3DTranspose(4, 6, kernel_size=[3, 3, 3], data_format=NCDHW)\n '\
'(1): AvgPool3D(kernel_size=2, stride=2, padding=0)\n '\
'(2): Tanh(name=Tanh)\n '\
'(3): Sequential(\n (conv1): Conv2D(1, 20, kernel_size=[5, 5], data_format=NCHW)\n (relu1): ReLU()\n'\
' (conv2): Conv2D(20, 64, kernel_size=[5, 5], data_format=NCHW)\n (relu2): ReLU()\n )\n '\
'(4): Conv3D(4, 6, kernel_size=[3, 3, 3], data_format=NCDHW)\n '\
'(5): MaxPool3D(kernel_size=2, stride=2, padding=0)\n '\
'(6): GELU(approximate=True)\n)'
)