update actinn example script with new data object (#63)

* use logger instead of print

* update actinn example script to use the new data object

dance/datasets/singlemodality.py

@@ -367,14 +367,7 @@ def load_data(self):
 
  if self.data_type == "actinn":
  self.download_benchmark_data()
- (
- self.train_set,
- self.train_label,
- self.test_set,
- self.test_label,
- self.barcode,
- self.label_to_type_dict,
- ) = load_actinn_data(self.train_set, self.train_label, self.test_set, self.test_label)
+ return load_actinn_data(self.train_set, self.train_label, self.test_set, self.test_label)
 
  if self.data_type == "celltypist":
  self.download_benchmark_data(download_pretrained=False)

dance/modules/single_modality/cell_type_annotation/actinn.py

@@ -145,15 +145,15 @@ def fit(self, x_train, y_train, seed=None):
  Parameters
  ----------
  x_train : torch.Tensor
- training data (genes by cells).
+ training data (cells by genes).
  y_train : torch.Tensor
- training labels (cell-types by cells).
+ training labels (cells by cell-types).
  seed : int, optional
  Random seed, if set to None, then random.
 
  """
- x_train = x_train.T.clone().detach().float().to(self.device) # cells by genes
- y_train = torch.where(y_train.T)[1].to(self.device) # cells
+ x_train = x_train.clone().detach().float().to(self.device) # cells by genes
+ y_train = torch.where(y_train)[1].to(self.device) # cells
 
  # Initialize weights, optimizer, and scheduler
  self.initialize_parameters(seed)
@@ -182,35 +182,33 @@ def predict(self, x):
  Parameters
  ----------
  x : torch.Tensor
- Gene expression input features (genes by cells).
+ Gene expression input features (cells by genes).
 
  Returns
  -------
  torch.Tensor
  Predicted cell-label indices.
 
  """
- x = x.T.clone().detach().to(self.device)
+ x = x.clone().detach().to(self.device)
  z = self.forward(x)
  prediction = torch.argmax(z, dim=-1)
  return prediction
 
- def score(self, x, y):
+ def score(self, pred, true):
  """Model performance score measured by accuracy.
 
  Parameters
  ----------
- x : torch.Tensor
- Gene expression input features (genes by cells).
- y : torch.Tensor
- One-hot encoded ground truth labels (cell-types by cells).
+ pred : torch.Tensor
+ Gene expression input features (cells by genes).
+ true : torch.Tensor
+ Encoded ground truth cell type labels (cells by cell-types).
 
  Returns
  -------
  float
- Prediction accuracy
+ Prediction accuracy.
 
  """
- pred = self.predict(x).detach().cpu()
- label = torch.where(y.T)[1]
- return (pred == label).detach().float().mean().tolist()
+ return true[range(pred.shape[0]), pred.squeeze(-1)].detach().mean().item()

dance/transforms/preprocess.py

@@ -968,26 +968,30 @@ def load_actinn_data(train_data_paths: List[str], train_label_paths: List[str],
  train_set, test_set = scale_sets([train_set, test_set], normalize=normalize)
  type_to_label_dict_out = type_to_label_dict(train_label.iloc[:, 1])
  label_to_type_dict = {v: k for k, v in type_to_label_dict_out.items()}
- print(f"Cell Types in training set:")
- pprint.pprint(type_to_label_dict_out)
+ logger.info("Cell Types in training set:\n%s", pprint.pformat(type_to_label_dict_out))
  train_label = convert_type_to_label(train_label.iloc[:, 1], type_to_label_dict_out)
  train_label = one_hot_matrix(train_label, nt)
- print(f"# Trainng cells: {train_label.shape[1]:,}")
+ logger.info(f"# Trainng cells: {train_label.shape[1]:,}")
 
  total_test_cells = test_label.shape[0]
  indicator = test_label.iloc[:, 1].isin(type_to_label_dict_out)
  test_label = test_label[indicator]
- barcode = test_label.iloc[:, 0].tolist()
  test_set = test_set[:, indicator]
  test_label = convert_type_to_label(test_label.iloc[:, 1], type_to_label_dict_out)
  test_label = one_hot_matrix(test_label, nt)
- print(f"# Testing cells {test_label.shape[1]:,} (original number of cells = {total_test_cells:,})")
+ logger.info(f"# Testing cells {test_label.shape[1]:,} (original number of cells = {total_test_cells:,})")
 
- # Convert to train_set and test_set to tensor
- train_set = torch.from_numpy(train_set)
- test_set = torch.from_numpy(test_set)
+ x_adata = AnnData(sp.csr_matrix(np.hstack((train_set, test_set)).T), dtype=np.float32)
+ train_size = train_set.shape[1]
+ tot_size = x_adata.shape[0]
 
- return train_set, train_label, test_set, test_label, barcode, label_to_type_dict
+ labels = [set() for _ in range(tot_size)]
+ for i, j in zip(*np.where(np.hstack((train_label, test_label)).T)):
+ labels[i].add(label_to_type_dict[j])
+
+ idx_to_label = list(map(label_to_type_dict.get, range(len(label_to_type_dict))))
+
+ return x_adata, labels, idx_to_label, train_size
 
 
 #######################################################

examples/single_modality/cell_type_annotation/actinn.py

@@ -4,8 +4,10 @@
 import numpy as np
 import pandas as pd
 
+from dance.data import Data
 from dance.datasets.singlemodality import CellTypeDataset
 from dance.modules.single_modality.cell_type_annotation.actinn import ACTINN
+from dance.utils.preprocess import cell_label_to_adata
 
 if __name__ == "__main__":
  parser = argparse.ArgumentParser(formatter_class=argparse.ArgumentDefaultsHelpFormatter)
@@ -43,33 +45,24 @@
 
  dataloader = CellTypeDataset(data_type="actinn", train_set=train_data_paths, train_label=train_label_paths,
  test_set=test_data_path, test_label=test_label_path)
- dataloader = dataloader.load_data()
- barcode = dataloader.barcode
- train_set = dataloader.train_set
- train_label = dataloader.train_label
- test_set = dataloader.test_set
- test_label = dataloader.test_label
 
- # Initialize and train model
- num_genes, num_train_samples = train_set.shape
- num_cell_types = train_label.shape[0]
- print(f"{num_train_samples=:,}, {num_genes=:,}, {num_cell_types=:,}")
- model = ACTINN(num_genes, num_cell_types, hidden_dims=args.hidden_dims, lr=args.learning_rate, device=args.device,
- num_epochs=args.num_epochs, batch_size=args.batch_size, print_cost=args.print_cost, lambd=args.lambd)
+ x_adata, cell_labels, idx_to_label, train_size = dataloader.load_data()
+ y_adata = cell_label_to_adata(cell_labels, idx_to_label, obs=x_adata.obs)
+ data = Data(x_adata, y_adata, train_size=train_size)
 
- scores = []
- for k in range(args.runs):
- model.fit(train_set, train_label, seed=args.seed + k)
- test_predict = model.predict(test_set)
+ model = ACTINN(input_dim=data.num_features, output_dim=len(idx_to_label), hidden_dims=args.hidden_dims,
+ lr=args.learning_rate, device=args.device, num_epochs=args.num_epochs, batch_size=args.batch_size,
+ print_cost=args.print_cost, lambd=args.lambd)
 
- predicted_label = []
- for i in range(len(test_predict)):
- predicted_label.append(dataloader.label_to_type_dict[test_predict[i].item()])
- predicted_label = pd.DataFrame({"cellname": barcode, "celltype": predicted_label})
- # predicted_label.to_csv("predicted_label.txt", sep="\t", index=False)
+ x_train, y_train = data.get_train_data(return_type="torch")
+ x_test, y_test = data.get_test_data(return_type="torch")
 
- scores.append(model.score(test_set, test_label))
- print(f"Run {k + 1:>2d}/{args.runs:>2d}: {scores[-1]}")
+ scores = []
+ for k in range(args.runs):
+ model.fit(x_train, y_train, seed=args.seed + k)
+ pred = model.predict(x_test)
+ scores.append(score := model.score(pred, y_test))
+ print(f"{score}")
  print(f"Score: {np.mean(scores):04.3f} +/- {np.std(scores):04.3f}")
 """To reproduce ACTINN benchmarks, please refer to command lines belows: