diff --git a/pyproject.toml b/pyproject.toml index 15715d5..097231a 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,12 +1,34 @@ [project] name = "hypergraph-wavelets" version = "0.1.0" -description = "Add your description here" +description = "" readme = "README.md" requires-python = ">=3.10" dependencies = [ - "pip>=25.2", - "torch==2.8", - "torchvision>=0.23.0", + "anndata", + "einops", + "graphtools", + "matplotlib", + "networkx", + "numpy", + "opencv-python", + "pandas", + "phate", + "pyarrow", + "pytorch-lightning", + "scanpy", + "scikit-learn", + "scipy", + "torch", + "torch-geometric", + "torchmetrics", + "torchvision", + "tqdm", ] +[project.optional-dependencies] +dev = [ + "ipykernel", + "jupyter", + "jupyterlab", +] \ No newline at end of file diff --git a/src/hypergraphs/hyperedge_aggregator.py b/src/hypergraphs/hyperedge_aggregator.py index 1f14330..5db0f9e 100644 --- a/src/hypergraphs/hyperedge_aggregator.py +++ b/src/hypergraphs/hyperedge_aggregator.py @@ -1,35 +1,25 @@ import torch -from torch_scatter import scatter_mean +from torch_geometric.utils import scatter def compute_mean(x, edge_index): row, col = edge_index - mean_features = scatter_mean(x[row], col, dim=0) + mean_features = scatter(x[row], col, dim=0, reduce='mean') return mean_features def compute_var(x, edge_index): row, col = edge_index - mean_features = scatter_mean(x[row], col, dim=0) - mean_sq = scatter_mean((x*x)[row], col, dim=0) + mean_features = scatter(x[row], col, dim=0, reduce='mean') + mean_sq = scatter((x*x)[row], col, dim=0, reduce='mean') var_features = mean_sq - mean_features * mean_features return var_features def compute_cov(x, edge_index): row, col = edge_index - mean_features = scatter_mean(x[row], col, dim=0) + mean_features = scatter(x[row], col, dim=0, reduce='mean') xxT = torch.einsum('bi,bj->bij', x, x) xxT = xxT[row,...] shapes = xxT.size() xxT = xxT.reshape(-1, x.size(1) * x.size(1)) - mean_xxT = scatter_mean(xxT, col, dim=0).reshape(-1, x.size(1), x.size(1)) + mean_xxT = scatter(xxT, col, dim=0, reduce='mean').reshape(-1, x.size(1), x.size(1)) cov = mean_xxT - torch.einsum('bi,bj->bij', mean_features, mean_features) - return cov - -""" -(manual, for testing, slow) -""" -def mean_manual(x, edge_index): - means = torch.zeros(edge_index[1].max()+1, x.size(1)) - for i in range(edge_index[1].max()+1): - ids = edge_index[0][edge_index[1] == i] - means[i,:] = x[ids,:].mean(dim=0) - return means \ No newline at end of file + return cov \ No newline at end of file diff --git a/src/models/hypergraph_scattering.py b/src/models/hypergraph_scattering.py index 9c3d779..09e0d1d 100644 --- a/src/models/hypergraph_scattering.py +++ b/src/models/hypergraph_scattering.py @@ -21,8 +21,8 @@ from torch_geometric.nn.pool import global_mean_pool from torch_geometric.nn.conv import MessagePassing from torch_geometric.utils import scatter +from torch_geometric.utils import softmax as pyg_softmax from torch_geometric.nn import global_mean_pool, global_max_pool, global_add_pool -from torch_scatter import scatter_softmax, scatter_sum class LazyLayer(torch.nn.Module): @@ -269,9 +269,9 @@ def forward(self, x, batch, return_attn=False): The shape of `x` is [num_nodes, num_features]. NOTE: In our case, `x` is the hyperedge features. 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