Empowering multifaceted analysis of spatial transcriptomics data with RGAST.
The 11 matches
- [1] § Materials and methods › Spatially variable genes detection › Detection of SVGs ↔ tutorial/SVG_detection.ipynb, lines 76–114 · score 0.70 · fold change, neighboring domain, fraction, ratio, DE, rank
- [2] § Materials and methods › Cell–cell communications analysis ↔ RGAST/cci.py, lines 23–72 · score 0.68 · CellChatDB, LR pair, database, subunits, ligand, receptor
- [3] § Materials and methods › Cell–cell communications analysis ↔ RGAST/cci.py, lines 418–476 · score 0.65 · spatial vector fields, signaling direction, weights, matrix, network, spot
- [4] § Materials and methods › Trajectory and pseudotime inference › Cross-sectional 3D RGAST model ↔ tutorial/3D_RGAST.ipynb, lines 1–23 · score 0.65 · discontinuous independent technical, spatial neighborhoods lies, consecutive, noises, adjacent, biological
- [5] § Materials and methods › Deep embedding clustering (optional) ↔ RGAST/Train_RGAST.py, lines 255–378 · score 0.63 · deep embedded clustering, RGAST embedding, DEC, latent
- [6] § Materials and methods › Relational graph attention auto-encoder › Loss function ↔ RGAST/Train_RGAST.py, lines 77–118 · score 0.63 · Adam optimizer, weight decay, Loss
- [7] § Results › Overview of the RGAST model ↔ RGAST/Train_RGAST.py, lines 77–118 · score 0.62 · graph attention auto, latent embedding, dimensional, profiles, encoder, reconstructed
- [8] § Materials and methods › Scalable training of RGAST ↔ tutorial/train_with_DIC.ipynb, lines 1–21 · score 0.61 · mouse olfactory bulb, DIC strategy, Stereo seq, Training
- [9] § Materials and methods › Scalable training of RGAST ↔ RGAST/Train_RGAST.py, lines 25–74 · score 0.54 · Training RGAST, spatial transcriptomics, batch, networks
- [10] § Results › Validation and application of RGAST in deciphering spatially resolved cell–cell communication networks ↔ tutorial/de_novo_CCC_analysis.ipynb, lines 148–162 · score 0.53 · Penk Oprd1, ligand receptor, CCC, score, pathway, cell
- [11] § Results › Validation and application of RGAST in deciphering spatially resolved cell–cell communication networks ↔ tutorial/de_novo_CCC_analysis.ipynb, lines 148–162 · score 0.52 · ligand receptor pair, Penk Oprd1, CCC, scores, pathways, cell
Paper
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The authors' code
Python · 394 lines · 18 KB · MIT · 4 matches
- import numpy as np
- import os
- import scanpy as sc
- import anndata
- from sklearn.metrics.cluster import adjusted_rand_score
- from sklearn.metrics import silhouette_score
- import random
- from tqdm import tqdm
- import warnings
- from .RGAST import RGAST
- from .utils import Transfer_pytorch_Data, res_search_fixed_clus, Batch_Data, Cal_Spatial_Net, Cal_Expression_Net, mclust_R
- import torch
- import torch.backends.cudnn as cudnn
- cudnn.benchmark = True
- import torch.nn.functional as F
- from torch_geometric.loader import DataLoader
- def target_distribution(batch):
- weight = (batch ** 2) / torch.sum(batch, 0)
- return (weight.t() / torch.sum(weight, 1)).t()
- class Train_RGAST:
- def __init__(self, adata, dim_reduction = None, batch_data = False, num_batch_x_y = None, device_idx = 7, spatial_net_arg = {}, exp_net_arg = {}, verbose=True, center_msg='out'):
- """\
- Initialization of a RGAST trainer.
- Parameters
- ----------
- adata
- AnnData object of scanpy package.
- num_batch_x_y
- A tuple specifying the number of points at which to segment the spatially transcribed image on the x and y axes.
- Each split is then trained as a batch. This is useful for large scale cases.
- spatial_net_arg
- A dict passing key-word arguments to calculating spatial network in each batch data. See `Cal_Spatial_Net`.
- exp_net_arg
- A dict passing key-word arguments to calculating expression network in each batch data. See `Cal_Expression_Net`
- """
- if dim_reduction == 'PCA':
- if 'X_pca' not in adata.obsm.keys():
- raise ValueError("PCA has not been done! Run sc.pp.pca first!")
- elif dim_reduction == 'HVG':
- if 'highly_variable' not in adata.var.keys():
- raise ValueError("HVG has not been computed! Run sc.pp.highly_variable_genes first!")
- else:
- warnings.warn("No dimentional reduction method specified, using all genes' expression as input.")
- self.dim_reduction = dim_reduction
- self.batch_data = batch_data
- self.adata = adata
- if 'Spatial_Net' not in adata.uns.keys():
- raise ValueError("Spatial_Net is not existed! Run Cal_Spatial_Net first!")
- if 'Exp_Net' not in adata.uns.keys():
- raise ValueError("Exp_Net is not existed! Run Cal_Expression_Net first!")
- self.data = Transfer_pytorch_Data(adata, dim_reduction=dim_reduction,center_msg=center_msg)
- if verbose:
- print('Size of Input: ', self.data.x.shape)
- if batch_data:
- self.num_batch_x, self.num_batch_y = num_batch_x_y
- Batch_list = Batch_Data(adata, num_batch_x=self.num_batch_x, num_batch_y=self.num_batch_y)
- for temp_adata in Batch_list:
- Cal_Spatial_Net(temp_adata, **spatial_net_arg)
- Cal_Expression_Net(temp_adata, dim_reduce=dim_reduction, **exp_net_arg)
- data_list = [Transfer_pytorch_Data(adata, dim_reduction=dim_reduction,center_msg=center_msg) for adata in Batch_list]
- self.loader = DataLoader(data_list, batch_size=1, shuffle=True)
- self.device = torch.device(f'cuda:{device_idx}' if torch.cuda.is_available() else 'cpu')
- self.model = None
- def train_RGAST(self, early_stopping = True, label_key = None, save_path = '.', n_clusters = 7, cluster_method = 'leiden',
- hidden_dims=[100, 32], n_epochs=1000, lr=0.001, key_added='RGAST', att_drop = 0.3,
- gradient_clipping=5., weight_decay=0.0001, min_epochs=300, random_seed=0, save_loss=False,
- save_reconstrction=False, save_attention=True):
- """\
- Training graph attention auto-encoder.
- Parameters
- ----------
- early_stopping
- Using early stopping strategy or not. Default = True.
- lable_key
- A key specify the specific column in adata.obs to be treated as reference label.
- save_path
- directory to save the trained RGAST model.
- n_clusters
- number of clusters to set when calculating early stopping criterion.
- hidden_dims
- The dimension of the encoder (depends on RGAST or RGAST2).
- n_epochs
- Number of total epochs in training.
- lr
- Learning rate for AdamOptimizer.
- key_added
- The latent embeddings are saved in adata.obsm[key_added].
- gradient_clipping
- Gradient Clipping.
- weight_decay
- Weight decay for AdamOptimizer.
- save_loss
- If True, the training loss is saved in adata.uns['RGAST_loss'].
- save_reconstrction
- If True, the reconstructed PCA profiles are saved in adata.layers['RGAST_ReX'].
- Returns
- -------
- AnnData
- """
- self.save_path = save_path
- self.label_key = label_key
- self.n_clusters = n_clusters
- # seed_everything()
- seed=random_seed
- random.seed(seed)
- np.random.seed(seed)
- torch.manual_seed(seed)
- torch.cuda.manual_seed(seed)
- if self.model is None:
- model = RGAST(hidden_dims = [self.data.x.shape[1]] + hidden_dims, dim_reduce=self.dim_reduction, att_drop=att_drop).to(self.device)
- else:
- model = self.model.to(self.device)
- data = self.data.to(self.device)
- optimizer = torch.optim.Adam(model.parameters(), lr=lr, weight_decay=weight_decay)
- loss_list = []
- score_list = [0]
- num_fail = 0
- with tqdm(range(n_epochs)) as tq:
- for epoch in tq:
- if early_stopping:
- with torch.no_grad():
- if label_key is not None:
- if (epoch+1) % 50 == 0:
- if self.batch_data:
- model.to('cpu')
- model.eval()
- z, _, _, _ = model(data.x.cpu(), data.edge_index.cpu(), data.edge_type.cpu())
- model.to(self.device)
- else:
- model.eval()
- z, _, _, _ = model(data.x, data.edge_index, data.edge_type)
- z = z.to('cpu').detach().numpy()
- adata_RGAST = anndata.AnnData(z)
- adata_RGAST.obs_names=self.adata.obs_names
- if cluster_method == 'mclust':
- mclust_R(adata_RGAST, n_clusters)
- elif cluster_method == 'leiden':
- sc.pp.neighbors(adata_RGAST)
- _ = res_search_fixed_clus(adata_RGAST, n_clusters)
- obs_df = adata_RGAST.obs.join(self.adata.obs[label_key]).dropna(subset=label_key)
- ARI = adjusted_rand_score(obs_df['RGAST'], obs_df[label_key])
- if ARI <= max(score_list):
- num_fail += 1
- if num_fail>3 and epoch>=min_epochs:
- break
- else:
- num_fail = 0
- torch.save(model,f'{save_path}/model.pth')
- self.adata.obs['RGAST'] = adata_RGAST.obs['RGAST']
- score_list.append(ARI)
- tq.set_postfix(ARI=round(max(score_list),3))
- else:
- if (epoch+1) % 50 == 0:
- if self.batch_data:
- model.to('cpu')
- model.eval()
- z, _, _, _ = model(data.x.cpu(), data.edge_index.cpu(), data.edge_type.cpu())
- model.to(self.device)
- else:
- model.eval()
- z, _, _, _ = model(data.x, data.edge_index, data.edge_type)
- z = z.to('cpu').detach().numpy()
- adata_RGAST = anndata.AnnData(z)
- adata_RGAST.obs_names=self.adata.obs_names
- sc.pp.neighbors(adata_RGAST)
- _ = res_search_fixed_clus(adata_RGAST, n_clusters)
- SC = silhouette_score(z, adata_RGAST.obs['RGAST'])
- if SC <= max(score_list):
- num_fail += 1
- if num_fail>3 and epoch>=min_epochs:
- break
- else:
- num_fail = 0
- torch.save(model,f'{save_path}/model.pth')
- self.adata.obs['RGAST'] = adata_RGAST.obs['RGAST']
- score_list.append(SC)
- tq.set_postfix(SC=round(max(score_list),3))
- if self.batch_data:
- for batch in self.loader:
- batch = batch.to(self.device)
- model.train()
- optimizer.zero_grad()
- z, out, _, _ = model(batch.x, batch.edge_index, batch.edge_type)
- loss = F.mse_loss(batch.x, out) #F.nll_loss(out[data.train_mask], data.y[data.train_mask])
- loss.backward()
- loss_list.append(loss.item())
- torch.nn.utils.clip_grad_norm_(model.parameters(), gradient_clipping)
- optimizer.step()
- else:
- model.train()
- optimizer.zero_grad()
- z, out, _, _ = model(data.x, data.edge_index, data.edge_type)
- loss = F.mse_loss(data.x, out) #F.nll_loss(out[data.train_mask], data.y[data.train_mask])
- loss.backward()
- loss_list.append(loss.item())
- torch.nn.utils.clip_grad_norm_(model.parameters(), gradient_clipping)
- optimizer.step()
- if early_stopping == True and os.path.exists(f'{save_path}/model.pth'):
- model = torch.load(f'{save_path}/model.pth',weights_only=False).to(self.device)
- with torch.no_grad():
- if self.batch_data:
- model.to('cpu')
- model.eval()
- z, out, att1, att2 = model(data.x.cpu(), data.edge_index.cpu(), data.edge_type.cpu())
- model.to(self.device)
- else:
- model.eval()
- z, out, att1, att2 = model(data.x, data.edge_index, data.edge_type)
- RGAST_rep = z.to('cpu').detach().numpy()
- np.save(f'{save_path}/RGAST_embedding.npy', RGAST_rep)
- torch.save(model.to('cpu'),f'{save_path}/model.pth')
- self.adata.obsm[key_added] = RGAST_rep
- if save_loss:
- self.adata.uns['RGAST_loss'] = loss_list
- if save_reconstrction:
- ReX = out.to('cpu').numpy()
- self.adata.obsm['RGAST_ReX'] = ReX
- if save_attention:
- self.adata.uns['att1'] = (att1[0].to('cpu').numpy(),att1[1].to('cpu').numpy())
- self.adata.uns['att2'] = (att2[0].to('cpu').numpy(),att2[1].to('cpu').numpy())
- self.model = model
- def train_with_dec(self, verbose = True, early_stopping = True, key_added='RGAST', num_epochs=1000, dec_interval=50, dec_tol=0.01):
- """\
- Training graph attention auto-encoder with deep embedding clustering.
- Only call this after call Train_RGAST.train_RGAST() and make sure batch_data = False.
- Parameters
- ----------
- early_stopping
- Using early stopping strategy or not. Default = True.
- key_added
- The latent embeddings are saved in adata.obsm[key_added].
- num_epochs
- Number of total epochs in training.
- dec_interval
- Evaluate after how many epochs (for early stopping).
- dec_tol
- DEC tol.
- Returns
- -------
- AnnData with updated .obsm[key_added]
- """
- # initialize cluster parameter
- model = self.model.to(self.device)
- model.eval()
- test_z = self.adata.obsm['RGAST']
- y_pred_last = np.array(self.adata.obs['RGAST'],dtype=np.int32).copy()
- counts = len(np.bincount(y_pred_last))
- cluster_layer = []
- for i in range(counts):
- cluster_layer.append(np.mean(test_z[y_pred_last==i,],axis=0))
- cluster_layer = torch.tensor(cluster_layer).to(self.device)
- data = self.data.to(self.device)
- optimizer = torch.optim.Adam(model.parameters(), lr=0.001, weight_decay=0.0001)
- score_list = [0]
- num_fail = 0
- with tqdm(range(num_epochs)) as tq:
- for epoch_id in tq:
- if (epoch_id+1) % dec_interval == 0:
- if early_stopping:
- #early stopping
- if self.label_key is not None:
- model.eval()
- z, _ = model(data.x, data.edge_index, data.edge_type)
- z = z.to('cpu').detach().numpy()
- adata_RGAST = anndata.AnnData(z)
- adata_RGAST.obs_names=self.adata.obs_names
- sc.pp.neighbors(adata_RGAST)
- _ = res_search_fixed_clus(adata_RGAST, self.n_clusters)
- obs_df = adata_RGAST.obs.join(self.adata.obs[self.label_key]).dropna(subset=self.label_key)
- ARI = adjusted_rand_score(obs_df['RGAST'], obs_df[self.label_key])
- if ARI <= max(score_list):
- num_fail += 1
- if num_fail>3 and epoch_id>=300:
- break
- else:
- num_fail = 0
- torch.save(model,f'{self.save_path}/model.pth')
- self.adata.obs['RGAST'] = adata_RGAST.obs['RGAST']
- score_list.append(ARI)
- tq.set_postfix(ARI=round(max(score_list),3))
- else:
- model.eval()
- z, _ = model(data.x, data.edge_index, data.edge_type)
- z = z.to('cpu').detach().numpy()
- adata_RGAST = anndata.AnnData(z)
- adata_RGAST.obs_names=self.adata.obs_names
- sc.pp.neighbors(adata_RGAST)
- _ = res_search_fixed_clus(adata_RGAST, self.n_clusters)
- SC = silhouette_score(z, adata_RGAST.obs['RGAST'])
- if SC <= max(score_list):
- num_fail += 1
- if num_fail>3 and epoch_id>=300:
- break
- else:
- num_fail = 0
- torch.save(model,f'{self.save_path}/model.pth')
- self.adata.obs['RGAST'] = adata_RGAST.obs['RGAST']
- score_list.append(SC)
- tq.set_postfix(SC=round(max(score_list),3))
- #DEC update
- z, reconst = model(data.x, data.edge_index, data.edge_type)
- q = 1.0 / (1.0 + torch.sum(torch.pow(z.unsqueeze(1) - cluster_layer, 2), 2))
- q = (q.t() / torch.sum(q, 1)).t()
- tmp_p = target_distribution(torch.Tensor(q))
- y_pred = tmp_p.cpu().detach().numpy().argmax(1)
- delta_label = np.sum(y_pred != y_pred_last).astype(np.float32) / y_pred.shape[0]
- y_pred_last = np.copy(y_pred)
- if epoch_id > 0 and delta_label < dec_tol:
- print('delta_label {:.4}'.format(delta_label), '< tol', dec_tol)
- print('Reached tolerance threshold. Stopping training.')
- break
- # training model
- model.train()
- optimizer.zero_grad()
- z, reconst = model(data.x, data.edge_index, data.edge_type)
- q = 1.0 / (1.0 + torch.sum(torch.pow(z.unsqueeze(1) - cluster_layer, 2), 2) / 1.0)
- q = (q.t() / torch.sum(q, 1)).t()
- loss_rec = F.mse_loss(data.x, reconst)
- # clustering KL loss
- loss_kl = F.kl_div(q.log(), torch.tensor(tmp_p).to(self.device)).to(self.device)
- loss = loss_kl + loss_rec
- loss.backward()
- optimizer.step()
- model = torch.load(f'{self.save_path}/model.pth').to(self.device)
- model.eval()
- z, _ = model(data.x, data.edge_index, data.edge_type)
- RGAST_rep = z.to('cpu').detach().numpy()
- np.save(f'{self.save_path}/RGAST_embedding.npy', RGAST_rep)
- self.adata.obsm[key_added] = RGAST_rep
- self.model = model
- def load_model(self, path):
- self.model = torch.load(path, map_location=self.device)
- def save_model(self, path):
- torch.save(self.model,f'{path}/model.pth')
- @torch.no_grad()
- def process(self, gdata = None):
- if gdata is None:
- gdata = self.data
- self.model.to(self.device)
- self.model.eval()
- gdata = gdata.to(self.device)
- return self.model(gdata.x, gdata.edge_index, gdata.edge_type)
Train_RGAST.py at commit efea2dd, under MIT · at the source
Overview
- Department of Bioinformatics and Biostatistics, School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, 800 Dongchuan Road, Minhang District, Shanghai, Shanghai, 200240, China
- SJTU-Yale Joint Center for Biostatistics and Data Science Organization, Shanghai Jiao Tong University, 800 Dongchuan Road, Minhang District, Shanghai, Shanghai, 200240, China
- Institute of Translational Medicine, Shanghai Jiao Tong University, 800 Dongchuan Road, Minhang District, Shanghai, Shanghai, 200240, China
- National Center for Translational Medicine, Shanghai Jiao Tong University, 800 Dongchuan Road, Minhang District, Shanghai, Shanghai, 200240, China
- Institute of Clinical Medicine, School of Medicine, Shanghai Jiao Tong University, 800 Dongchuan Road, Minhang District, Shanghai, Shanghai, 200240, China
Abstract
Spatial transcriptomics (ST) enables mapping gene expression in native tissue context to resolve architecture and cellular interactions, but current analytical workflows rely on separate algorithms for distinct tasks. We present RGAST (Relational Graph Attention network for ST analysis), a framework that builds upon and extends our earlier HERGAST model (specifically designed for large-scale ST data analysis) for diverse downstream analysis. By introducing a relational graph attention auto-encoder, RGAST jointly models spatial proximity and gene expression similarity to capture both local and global structures in ST data. This design enables a wide range of downstream tasks within a single framework. Through comprehensive benchmarking, RGAST demonstrates superior performance in spatial domain identification across multiple platforms, improving adjusted rand index by ~10% compared to the second-best model in the dorsolateral prefrontal cortex dataset. RGAST accurately reconstructs known neuroglial interaction patterns in the mouse hypothalamus, including long-range signaling pathways that are often missed by distance-constrained methods. Moreover, RGAST also excels in boosting spatially variable gene identification accuracy, delivering more precise inference of developmental trajectories in the human cortex, and robust reconstruction of 3D tissue architectures from serial sections. Collectively, these results establish RGAST as a powerful tool for providing coherent solution to advance ST data analysis across multiple research scenarios.
Reproduced under the paper's license (CC BY), from the paper cited above.
Repositories
Its files are read in the Code ↔ Paper reader above, with 11 matches between paragraphs and lines of code.
pypi.org/project/rgast
Availability: 1 check, the latest on 27 September 2026: the link answers (HTTP 200)
- 27 September 2026: the link answers (HTTP 200)
GYQ-form/RGAST
efea2dd94f9edaf1feadbc5eb269de60ad353ca1, 17 June 2026Availability: 1 check, the latest on 27 September 2026: the link answers
- 27 September 2026: the link answers
14 files
- RGAST/
RGAST.py , Python, 36 lines - RGAST/
Train_RGAST.py , Python, 394 lines, 4 matches - RGAST/
__init__.py , Python, 14 lines - RGAST/
cci.py , Python, 1,081 lines, 2 matches - RGAST/
svg.py , Python, 252 lines - RGAST/
utils.py , Python, 675 lines - setup.py, Python, 34 lines
- tutorial/
3D_RGAST.ipynb , Jupyter, 134 lines, 1 match - tutorial/
SVG_detection.ipynb , Jupyter, 124 lines, 1 match - tutorial/
de_novo_CCC_analysis.ipy , Jupyter, 173 lines, 2 matchesnb - tutorial/
spatial_clustering.ipynb , Jupyter, 102 lines - tutorial/
train_with_DIC.ipynb , Jupyter, 160 lines, 1 match - LICENSE, License, 21 lines
- README.md, Text, 56 lines
The paper's code and data availability statement is in the Data section.
Tracing map
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What the map holds:
- 2 repositories of the authors' code, each at its verified commit, with its license and how the link was found in the paper;
- 12 scripts, each with its path and the digest of its content;
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- neither the text of the paper nor the code itself.
Its JSON (tracing-map.json) is deposited on Zenodo with its DOI once the map is validated.
Data
No dataset and no data link were found in the paper.
Data availability
All data used in this research can be found in Supplementary Table S1. Our RGAST method is available as a Python package on PyPI at https://
Reproduced under the paper's license (CC BY), from the paper cited above.
Versions
The history of this record: each version stored by the harvester or made by a correction of its authors or of the maintainers of its code, and what changed in its facts. The texts of the paper (its abstract, its availability statements) are not part of it; versions that changed only those are not listed.
Version 1, 27 September 2026: the first record
Recorded: type, language, journal, volume, issue, pages, dates, 3 authors, 5 keywords, 7 MeSH terms, 6 funders, 49 references.
Cite
This paper
Gong, Y., Yuan, X., & Yu, Z. (2026). Empowering multifaceted analysis of spatial transcriptomics data with RGAST. Briefings in bioinformatics, 27(3), bbag298. https://
BibTeX
@article{gong2026empower
author = {Gong, Yuqiao and Yuan, Xin and Yu, Zhangsheng},
title = {{Empowering multifaceted analysis of spatial transcriptomics data with RGAST}},
journal = {Briefings in bioinformatics},
year = {2026},
month = may,
volume = {27},
number = {3},
pages = {bbag298},
publisher = {Oxford University Press},
issn = {1467-5463},
doi = {10.1093/
url = {https://
pmid = {42302280},
pmcid = {PMC13271401}
}
RIS
TY - JOUR
AU - Gong, Yuqiao
AU - Yuan, Xin
AU - Yu, Zhangsheng
TI - Empowering multifaceted analysis of spatial transcriptomics data with RGAST
T2 - Briefings in bioinformatics
J2 - Brief Bioinform
PY - 2026
DA - 2026/
VL - 27
IS - 3
SP - bbag298
SN - 1467-5463
PB - Oxford University Press
DO - 10.1093/
UR - https://
LA - en
ER -
CSL-JSON
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"given": "Zhangsheng"
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"container-title-short":
"volume": "27",
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"DOI": "10.1093/
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