import decagon_pytorch.convolve import decagon.deep.layers import torch import tensorflow as tf import numpy as np def prepare_data(): np.random.seed(0) latent = np.random.random((5, 10)).astype(np.float32) latent[latent < .5] = 0 latent = np.ceil(latent) adjacency_matrices = [] for _ in range(5): adj_mat = np.random.random((len(latent),) * 2).astype(np.float32) adj_mat[adj_mat < .5] = 0 adj_mat = np.ceil(adj_mat) adjacency_matrices.append(adj_mat) print('latent:', latent) print('adjacency_matrices[0]:', adjacency_matrices[0]) return latent, adjacency_matrices def dense_to_sparse_tf(x): a, b = np.where(x) indices = np.array([a, b]).T values = x[a, b] return tf.sparse.SparseTensor(indices, values, x.shape) def dropout_sparse_tf(x, keep_prob, num_nonzero_elems): """Dropout for sparse tensors. Currently fails for very large sparse tensors (>1M elements) """ noise_shape = [num_nonzero_elems] random_tensor = keep_prob random_tensor += tf.convert_to_tensor(torch.rand(noise_shape).detach().numpy()) # tf.convert_to_tensor(np.random.random(noise_shape)) # tf.random_uniform(noise_shape) dropout_mask = tf.cast(tf.floor(random_tensor), dtype=tf.bool) pre_out = tf.sparse_retain(x, dropout_mask) return pre_out * (1./keep_prob) def dense_graph_conv_torch(): torch.random.manual_seed(0) latent, adjacency_matrices = prepare_data() latent = torch.tensor(latent) adj_mat = adjacency_matrices[0] adj_mat = torch.tensor(adj_mat) conv = decagon_pytorch.convolve.DenseGraphConv(10, 10, adj_mat) latent = conv(latent) return latent def dense_dropout_graph_conv_activation_torch(keep_prob=1.): torch.random.manual_seed(0) latent, adjacency_matrices = prepare_data() latent = torch.tensor(latent) adj_mat = adjacency_matrices[0] adj_mat = torch.tensor(adj_mat) conv = decagon_pytorch.convolve.DenseDropoutGraphConvActivation(10, 10, adj_mat, keep_prob=keep_prob) latent = conv(latent) return latent def sparse_graph_conv_torch(): torch.random.manual_seed(0) latent, adjacency_matrices = prepare_data() print('latent.dtype:', latent.dtype) latent = torch.tensor(latent).to_sparse() adj_mat = adjacency_matrices[0] adj_mat = torch.tensor(adj_mat).to_sparse() print('adj_mat.dtype:', adj_mat.dtype, 'latent.dtype:', latent.dtype) conv = decagon_pytorch.convolve.SparseGraphConv(10, 10, adj_mat) latent = conv(latent) return latent def sparse_graph_conv_tf(): torch.random.manual_seed(0) latent, adjacency_matrices = prepare_data() conv_torch = decagon_pytorch.convolve.SparseGraphConv(10, 10, torch.tensor(adjacency_matrices[0]).to_sparse()) weight = tf.constant(conv_torch.weight.detach().numpy()) latent = dense_to_sparse_tf(latent) adj_mat = dense_to_sparse_tf(adjacency_matrices[0]) latent = tf.sparse_tensor_dense_matmul(latent, weight) latent = tf.sparse_tensor_dense_matmul(adj_mat, latent) return latent def sparse_dropout_graph_conv_activation_torch(keep_prob=1.): torch.random.manual_seed(0) latent, adjacency_matrices = prepare_data() latent = torch.tensor(latent).to_sparse() adj_mat = adjacency_matrices[0] adj_mat = torch.tensor(adj_mat).to_sparse() conv = decagon_pytorch.convolve.SparseDropoutGraphConvActivation(10, 10, adj_mat, keep_prob=keep_prob) latent = conv(latent) return latent def sparse_dropout_graph_conv_activation_tf(keep_prob=1.): torch.random.manual_seed(0) latent, adjacency_matrices = prepare_data() conv_torch = decagon_pytorch.convolve.SparseGraphConv(10, 10, torch.tensor(adjacency_matrices[0]).to_sparse()) weight = tf.constant(conv_torch.weight.detach().numpy()) nonzero_feat = np.sum(latent > 0) latent = dense_to_sparse_tf(latent) latent = dropout_sparse_tf(latent, keep_prob, nonzero_feat) adj_mat = dense_to_sparse_tf(adjacency_matrices[0]) latent = tf.sparse_tensor_dense_matmul(latent, weight) latent = tf.sparse_tensor_dense_matmul(adj_mat, latent) latent = tf.nn.relu(latent) return latent def test_sparse_graph_conv(): latent_torch = sparse_graph_conv_torch() latent_tf = sparse_graph_conv_tf() assert np.all(latent_torch.detach().numpy() == latent_tf.eval(session = tf.Session())) def test_sparse_dropout_graph_conv_activation(): for i in range(11): keep_prob = i/10. + np.finfo(np.float32).eps latent_torch = sparse_dropout_graph_conv_activation_torch(keep_prob) latent_tf = sparse_dropout_graph_conv_activation_tf(keep_prob) latent_torch = latent_torch.detach().numpy() latent_tf = latent_tf.eval(session = tf.Session()) print('latent_torch:', latent_torch) print('latent_tf:', latent_tf) assert np.all(latent_torch - latent_tf < .000001) def test_sparse_multi_dgca(): latent_torch = None latent_tf = [] for i in range(11): keep_prob = i/10. + np.finfo(np.float32).eps latent_torch = sparse_dropout_graph_conv_activation_torch(keep_prob) \ if latent_torch is None \ else latent_torch + sparse_dropout_graph_conv_activation_torch(keep_prob) latent_tf.append(sparse_dropout_graph_conv_activation_tf(keep_prob)) latent_torch = torch.nn.functional.normalize(latent_torch, p=2, dim=1) latent_tf = tf.add_n(latent_tf) latent_tf = tf.nn.l2_normalize(latent_tf, dim=1) latent_torch = latent_torch.detach().numpy() latent_tf = latent_tf.eval(session = tf.Session()) assert np.all(latent_torch - latent_tf < .000001) def test_graph_conv(): latent_dense = dense_graph_conv_torch() latent_sparse = sparse_graph_conv_torch() assert np.all(latent_dense.detach().numpy() == latent_sparse.detach().numpy()) # def setup_function(fun): # if fun == test_dropout_graph_conv_activation or \ # fun == test_multi_dgca: # print('Disabling dropout for testing...') # setup_function.old_dropout = decagon_pytorch.convolve.dropout, \ # decagon_pytorch.convolve.dropout_sparse # # decagon_pytorch.convolve.dropout = lambda x, keep_prob: x # decagon_pytorch.convolve.dropout_sparse = lambda x, keep_prob: x # # # def teardown_function(fun): # print('Re-enabling dropout...') # if fun == test_dropout_graph_conv_activation or \ # fun == test_multi_dgca: # decagon_pytorch.convolve.dropout, \ # decagon_pytorch.convolve.dropout_sparse = \ # setup_function.old_dropout def flexible_dropout_graph_conv_activation_torch(keep_prob=1.): torch.random.manual_seed(0) latent, adjacency_matrices = prepare_data() latent = torch.tensor(latent).to_sparse() adj_mat = adjacency_matrices[0] adj_mat = torch.tensor(adj_mat).to_sparse() conv = decagon_pytorch.convolve.DropoutGraphConvActivation(10, 10, adj_mat, keep_prob=keep_prob) latent = conv(latent) return latent def _disable_dropout(monkeypatch): monkeypatch.setattr(decagon_pytorch.convolve.dense, 'dropout', lambda x, keep_prob: x) monkeypatch.setattr(decagon_pytorch.convolve.sparse, 'dropout_sparse', lambda x, keep_prob: x) monkeypatch.setattr(decagon_pytorch.convolve.universal, 'dropout', lambda x, keep_prob: x) monkeypatch.setattr(decagon_pytorch.convolve.universal, 'dropout_sparse', lambda x, keep_prob: x) def test_dropout_graph_conv_activation(monkeypatch): _disable_dropout(monkeypatch) for i in range(11): keep_prob = i/10. if keep_prob == 0: keep_prob += np.finfo(np.float32).eps print('keep_prob:', keep_prob) latent_dense = dense_dropout_graph_conv_activation_torch(keep_prob) latent_dense = latent_dense.detach().numpy() print('latent_dense:', latent_dense) latent_sparse = sparse_dropout_graph_conv_activation_torch(keep_prob) latent_sparse = latent_sparse.detach().numpy() print('latent_sparse:', latent_sparse) latent_flex = flexible_dropout_graph_conv_activation_torch(keep_prob) latent_flex = latent_flex.detach().numpy() print('latent_flex:', latent_flex) nonzero = (latent_dense != 0) & (latent_sparse != 0) assert np.all(latent_dense[nonzero] == latent_sparse[nonzero]) nonzero = (latent_dense != 0) & (latent_flex != 0) assert np.all(latent_dense[nonzero] == latent_flex[nonzero]) nonzero = (latent_sparse != 0) & (latent_flex != 0) assert np.all(latent_sparse[nonzero] == latent_flex[nonzero]) def test_multi_dgca(monkeypatch): _disable_dropout(monkeypatch) keep_prob = .5 torch.random.manual_seed(0) latent, adjacency_matrices = prepare_data() latent_sparse = torch.tensor(latent).to_sparse() latent = torch.tensor(latent) assert np.all(latent_sparse.to_dense().numpy() == latent.numpy()) adjacency_matrices_sparse = [ torch.tensor(a).to_sparse() for a in adjacency_matrices ] adjacency_matrices = [ torch.tensor(a) for a in adjacency_matrices ] for i in range(len(adjacency_matrices)): assert np.all(adjacency_matrices[i].numpy() == adjacency_matrices_sparse[i].to_dense().numpy()) torch.random.manual_seed(0) multi_sparse = decagon_pytorch.convolve.SparseMultiDGCA([10,] * len(adjacency_matrices), 10, adjacency_matrices_sparse, keep_prob=keep_prob) torch.random.manual_seed(0) multi = decagon_pytorch.convolve.DenseMultiDGCA([10,] * len(adjacency_matrices), 10, adjacency_matrices, keep_prob=keep_prob) print('len(adjacency_matrices):', len(adjacency_matrices)) print('len(multi_sparse.sparse_dgca):', len(multi_sparse.sparse_dgca)) print('len(multi.dgca):', len(multi.dgca)) for i in range(len(adjacency_matrices)): assert np.all(multi_sparse.sparse_dgca[i].sparse_graph_conv.weight.detach().numpy() == multi.dgca[i].graph_conv.weight.detach().numpy()) # torch.random.manual_seed(0) latent_sparse = multi_sparse([latent_sparse,] * len(adjacency_matrices)) # torch.random.manual_seed(0) latent = multi([latent,] * len(adjacency_matrices)) assert np.all(latent_sparse.detach().numpy() == latent.detach().numpy())