Generative cerebral vasculature visualization using spatial transcriptomic data.
Paper
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The authors' code
Python · 326 lines · 12 KB · MIT
- import os, math
- from typing import Tuple
- from torch import distributed
- from dataclasses import dataclass
- from multiprocessing import get_context
- from torch.utils.data import DataLoader
- from torch.utils.data.distributed import DistributedSampler
- from model import ModelConfig
- from model.blocks import ScaleAt
- from config_base import BaseConfig
- from utils.MBADataset import MBADataset
- from diffusion.resample import UniformSampler
- from diffusion.diffusion import space_timesteps
- from diffusion import SpacedDiffusionBeatGansConfig
- from diffusion.base import GenerativeType, LossType, ModelMeanType, ModelVarType, get_named_beta_schedule
- from utils.choices import OptimizerType, ModelName, ModelType, Activation, TrainMode, ManipulateMode, ManipulateLossType
- @dataclass
- class PretrainConfig(BaseConfig):
- name: str
- path: str
- @dataclass
- class TrainConfig(BaseConfig):
- is_tot: bool = False
- method: str = 'ours'
- dims: int = 2
- # random seed
- seed: int = 0
- train_mode: TrainMode = TrainMode.diffusion
- train_cond0_prob: float = 0
- train_pred_xstart_detach: bool = True
- train_interpolate_prob: float = 0
- train_interpolate_img: bool = False
- manipulate_mode: ManipulateMode = ManipulateMode.celebahq_all
- manipulate_cls: str = None
- manipulate_shots: int = None
- manipulate_loss: ManipulateLossType = ManipulateLossType.bce
- manipulate_znormalize: bool = False
- manipulate_seed: int = 0
- accum_batches: int = 1
- autoenc_mid_attn: bool = True
- batch_size: int = 16
- batch_size_eval: int = None
- beatgans_gen_type: GenerativeType = GenerativeType.ddim
- beatgans_loss_type: LossType = LossType.mse
- beatgans_model_mean_type: ModelMeanType = ModelMeanType.eps
- beatgans_model_var_type: ModelVarType = ModelVarType.fixed_large
- beatgans_rescale_timesteps: bool = False
- cfg: bool = False
- latent_infer_path: str = None
- latent_znormalize: bool = False
- latent_gen_type: GenerativeType = GenerativeType.ddim
- latent_loss_type: LossType = LossType.mse
- latent_model_mean_type: ModelMeanType = ModelMeanType.eps
- latent_model_var_type: ModelVarType = ModelVarType.fixed_large
- latent_rescale_timesteps: bool = False
- latent_T_eval: int = 1_000
- latent_clip_sample: bool = False
- latent_beta_scheduler: str = 'linear'
- beta_scheduler: str = 'linear'
- semantic_path: str = ''
- data_num: int = 0
- data_val_name: str = None
- diffusion_type: str = None
- dropout: float = 0.1
- ema_decay: float = 0.9999
- eval_num_images: int = 5_000
- eval_every_samples: int = 200_000
- eval_ema_every_samples: int = 200_000
- fid_use_torch: bool = True
- fp16: bool = False
- grad_clip: float = 1
- # initialize 32 to avoid divisble issue
- # caused by groupnorm
- rna_tpl: Tuple[int] = tuple(range(32))
- rna_num: int = 500
- stain: float = 'DAPI'
- # img_size: int = 64 # Deprecate
- image_size: int = 64
- input_size: int = None # expanded image size for equi
- gn_sz: int = 4
- lr: float = 0.0001
- optimizer: OptimizerType = OptimizerType.adam
- weight_decay: float = 0
- model_conf: ModelConfig = None
- model_name: ModelName = None
- model_type: ModelType = None
- full_model_path: str = ""
- patch_size: int = 64
- net_attn: Tuple[int] = None
- net_beatgans_attn_head: int = 1
- # not necessarily the same as the the number of style channels
- net_beatgans_embed_channels: int = 512
- net_resblock_updown: bool = True
- net_enc_use_time: bool = False
- net_enc_pool: str = 'adaptivenonzero'
- net_beatgans_gradient_checkpoint: bool = False
- net_beatgans_resnet_two_cond: bool = False
- net_beatgans_resnet_use_zero_module: bool = True
- net_beatgans_resnet_scale_at: ScaleAt = ScaleAt.after_norm
- net_beatgans_resnet_cond_channels: int = None
- net_ch_mult: Tuple[int] = None
- net_ch: int = 64
- net_enc_attn: Tuple[int] = None
- net_enc_k: int = None
- # number of resblocks for the encoder (half-unet)
- net_enc_num_res_blocks: int = 2
- net_enc_channel_mult: Tuple[int] = None
- net_enc_grad_checkpoint: bool = False
- net_autoenc_stochastic: bool = False
- net_latent_activation: Activation = Activation.silu
- net_latent_channel_mult: Tuple[int] = (1, 2, 4)
- net_latent_condition_bias: float = 0
- net_latent_dropout: float = 0
- net_latent_layers: int = None
- net_latent_net_last_act: Activation = Activation.none
- net_latent_net_type: bool = None
- net_latent_num_hid_channels: int = 1024
- net_latent_num_time_layers: int = 2
- net_latent_skip_layers: Tuple[int] = None
- net_latent_time_emb_channels: int = 64
- net_latent_use_norm: bool = False
- net_latent_time_last_act: bool = False
- net_num_res_blocks: int = 2
- # number of resblocks for the UNET
- net_num_input_res_blocks: int = None
- net_enc_num_cls: int = None
- num_workers: int = 4
- parallel: bool = False
- postfix: str = ''
- sample_size: int = 64
- sample_every_samples: int = 125_000
- save_every_samples: int = 100_000
- semantic_enc: bool = False
- style_ch: int = 512
- T_eval: int = 1_000
- T_sampler: str = 'uniform'
- T: int = 1_000
- total_samples: int = 10_000_000
- warmup: int = 0
- pretrain: PretrainConfig = None
- continue_from: PretrainConfig = None
- eval_programs: Tuple[str] = None
- # if present load the checkpoint from this path instead
- eval_path: str = None
- base_dir: str = 'checkpoints'
- use_cache_dataset: bool = False
- data_cache_dir: str = os.path.expanduser('~/cache')
- work_cache_dir: str = os.path.expanduser('~/mycache')
- # to be overridden
- name: str = 'test'
- output_dir: str = f'{work_cache_dir}/gen_images/{name}'
- data_path: str = ""
- use_pos: bool = True
- def __post_init__(self):
- self.batch_size_eval = self.batch_size_eval or self.batch_size
- # self.data_val_name = self.data_val_name or self.data_name
- def scale_up_gpus(self, num_gpus, num_nodes=1):
- self.eval_ema_every_samples *= num_gpus * num_nodes
- self.eval_every_samples *= num_gpus * num_nodes
- self.sample_every_samples *= num_gpus * num_nodes
- self.batch_size *= num_gpus * num_nodes
- self.batch_size_eval *= num_gpus * num_nodes
- return self
- @property
- def batch_size_effective(self):
- return self.batch_size * self.accum_batches
- @property
- def fid_cache(self):
- return f'{self.work_cache_dir}/eval_images/{self.data_name}_{self.eval_num_images}'
- @property
- def logdir(self):
- if self.name:
- return f'{self.base_dir}/{self.name}'
- else: return ""
- @property
- def generate_dir(self):
- return self.output_dir
- def _make_diffusion_conf(self, T=None):
- if self.diffusion_type == 'beatgans':
- if self.beatgans_gen_type == GenerativeType.ddpm:
- section_counts = [T]
- elif self.beatgans_gen_type == GenerativeType.ddim:
- section_counts = f'ddim{T}'
- else:
- raise NotImplementedError()
- return SpacedDiffusionBeatGansConfig(
- gen_type=self.beatgans_gen_type,
- model_type=self.model_type,
- betas=get_named_beta_schedule(self.beta_scheduler, self.T),
- model_mean_type=self.beatgans_model_mean_type,
- model_var_type=self.beatgans_model_var_type,
- loss_type=self.beatgans_loss_type,
- rescale_timesteps=self.beatgans_rescale_timesteps,
- use_timesteps=space_timesteps(num_timesteps=self.T,
- section_counts=section_counts),
- fp16=self.fp16,
- cfg=self.cfg,
- is_tot=self.is_tot,
- image_size=self.image_size,
- input_size=self.input_size or self.image_size,
- gn_sz=self.gn_sz,
- method=self.method,
- rna_tpl=self.rna_tpl
- )
- else:
- raise NotImplementedError()
- @property
- def model_out_channels(self):
- return 3
- def make_T_sampler(self):
- if self.T_sampler == 'uniform':
- return UniformSampler(self.T)
- else:
- raise NotImplementedError()
- def make_diffusion_conf(self):
- return self._make_diffusion_conf(self.T)
- def make_eval_diffusion_conf(self):
- return self._make_diffusion_conf(T=self.T_eval)
- def make_dataset(self, path=None, **kwargs):
- # 609882 0117 28
- if self.method == 'ours':
- coef = 2 if self.image_size == 128 else 4
- im_sz = coef * self.image_size
- use_exl = True if self.image_size == 32 else False
- else:
- coef = 2 if self.is_tot else 4
- im_sz = coef * self.image_size
- use_exl = True if self.image_size == 32 else False
- return MBADataset(self.data_path, self.rna_num,
- self.image_size//self.gn_sz,
- im_sz, self.gn_sz//2,
- snum=len(self.rna_tpl), stain=self.stain,
- transform=True, methd=self.method, use_exl=use_exl)
- def make_loader(self,
- dataset,
- collate_fn,
- shuffle: bool,
- num_worker: bool = None,
- drop_last: bool = True,
- batch_size: int = None,
- parallel: bool = False):
- if parallel and distributed.is_initialized():
- # drop last to make sure that there is no added special indexes
- sampler = DistributedSampler(dataset,
- shuffle=shuffle,
- drop_last=True)
- else:
- sampler = None
- return DataLoader(
- dataset,
- collate_fn=collate_fn,
- batch_size=batch_size or self.batch_size,
- sampler=sampler,
- shuffle=False if sampler else shuffle,
- num_workers=num_worker or self.num_workers,
- pin_memory=False,
- drop_last=drop_last,
- multiprocessing_context=get_context('fork'),
- )
- def make_model_conf(self):
- if self.method == 'patch-dm':
- from model.unet_patch_dm import BeatGANsUNetConfig
- self.model_type = ModelType.ddpm
- elif self.method == 'sinf':
- from model.unet_sinf import BeatGANsUNetConfig
- self.model_type = ModelType.ddpm
- elif self.method == 'ours':
- from model.unet_ours import BeatGANsUNetConfig
- self.model_type = ModelType.autoencoder
- elif self.method == 'ours_vis':
- from model.unet_attn import BeatGANsUNetConfig
- self.model_type = ModelType.autoencoder
- rchn = len(self.rna_tpl)
- rchn = math.ceil(rchn / 2)
- self.model_conf = BeatGANsUNetConfig(
- use_pos=self.use_pos,
- attention_resolutions=self.net_attn,
- channel_mult=self.net_ch_mult,
- conv_resample=True,
- semantic_path = self.semantic_path,
- data_num = self.data_num,
- dims=self.dims,
- dropout=self.dropout,
- embed_channels=self.net_beatgans_embed_channels,
- image_size=self.image_size,
- input_size=self.input_size or self.image_size,
- gn_sz=self.gn_sz,
- in_channels=rchn if self.stain != 'all' else rchn * 2,
- model_channels=self.net_ch,
- num_classes=None,
- num_head_channels=-1,
- num_heads_upsample=-1,
- num_heads=self.net_beatgans_attn_head,
- num_res_blocks=self.net_num_res_blocks,
- num_input_res_blocks=self.net_num_input_res_blocks,
- rna_tpl=self.rna_tpl,
- rna_num=self.rna_num,
- out_channels=rchn if self.stain != 'all' else rchn * 2,
- resblock_updown=self.net_resblock_updown,
- semantic_enc = self.semantic_enc,
- use_checkpoint=self.net_beatgans_gradient_checkpoint,
- use_new_attention_order=False,
- resnet_two_cond=self.net_beatgans_resnet_two_cond,
- resnet_use_zero_module=self.
- net_beatgans_resnet_use_zero_module)
- return self.model_conf
config.py at commit 083747d, under MIT · at the source
Overview
- Department of Pathology and Molecular Pathology, University Hospital Zurich, University of Zurich,Zurich, Switzerland
- Department of Biomedical Engineering, University of Basel,Basel, Switzerland
- Institute of Medical Genetics and Pathology, University Hospital Basel,Basel, Switzerland
Abstract
The brain is sustained by an intricate vascular network that provides a continuous supply of nutrients and oxygen essential for its function. Understanding the structural variability and region-specific function of this neurovascular system is essential for interpreting neurological alterations in disease models. Leveraging the spatial mRNA-guided generative model Tera-MIND (simulating Tera-scale Mouse braINs using a patch-based and boundary-aware Diffusion model), we propose to predict the spatial organization of brain vasculature by the co-expression patterns of Cldn5 and Acta2 genes and their learned attention map at cell-level resolution. These findings demonstrate the capability of generative AI models trained on single-cell spatial transcriptomic data to capture biologically meaningful higher-order structures. They highlight the potential of such models as in silico systems - GenAI-based simulations that generate realistic representations of biological architecture from spatial molecular data - for high-throughput exploration of vascular function and its dysregulation in neurological disorders. Taken together, our approach repurposes existing spatial transcriptomics datasets to derive new spatial insights into vascular organization, without the need for additional tissue processing.
Supplementary Information: The online version contains supplementary material available at 10.1038/
Reproduced under the paper's license (CC BY), from the paper cited above.
Repository
Its files are read in the Code ↔ Paper reader above.
CTPLab/Tera-MIND
083747d0ddc3d17ccbb31c5556b9f319d375852f, 24 June 2025Availability: 1 check, the latest on 27 September 2026: the link answers
- 27 September 2026: the link answers
41 files
- config.py, Python, 326 lines
- config_base.py, Python, 72 lines
- config_parm.py, Python, 59 lines
- diffusion/
__init__.py , Python, 6 lines - diffusion/
base.py , Python, 730 lines - diffusion/
diffusion.py , Python, 161 lines - diffusion/
resample.py , Python, 63 lines - experiment.py, Python, 491 lines
- infer_DOPA.sh, Shell, 5 lines
- infer_GLUT.sh, Shell, 5 lines
- infer_attn.py, Python, 86 lines
- infer_brn.py, Python, 156 lines
- infer_brn.sh, Shell, 6 lines
- model/
MBAblocks.py , Python, 665 lines - model/
__init__.py , Python, 5 lines - model/
blocks.py , Python, 632 lines - model/
nn.py , Python, 262 lines - model/
unet_attn.py , Python, 267 lines - model/
unet_ours.py , Python, 476 lines - model/
unet_patch_dm.py , Python, 577 lines - model/
unet_sinf.py , Python, 270 lines - test_DOPA.sh, Shell, 4 lines
- test_GLUT.sh, Shell, 4 lines
- test_attn.py, Python, 589 lines
- test_brn.py, Python, 351 lines
- test_brn.sh, Shell, 4 lines
- train.py, Python, 45 lines
- train.sh, Shell, 2 lines
- utils/
MBADataset.py , Python, 287 lines - utils/
MBADataset_tst.py , Python, 203 lines - utils/
__init__.py , Python, 95 lines - utils/
choices.py , Python, 180 lines - utils/
dataset_util.py , Python, 77 lines - utils/
dist_utils.py , Python, 42 lines - utils/
feat_mba.py , Python, 564 lines - utils/
inft.py , Python, 476 lines - utils/
inft_mba.py , Python, 262 lines - utils/
metrics.py , Python, 557 lines - utils/
vis_mba.py , Python, 514 lines - LICENSE, License, 21 lines
- README.md, Text, 143 lines
The paper's code and data availability statement is in the Data section.
Tracing map
Proposed by the machine: these links were found in the paper and verified at the source, without human review. The map will receive a Zenodo DOI once one of the paper's authors has validated it with their ORCID.
What the map holds:
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Data
No dataset and no data link were found in the paper.
Data availability
Spatial transcriptomic and histological data (DAPI and Poly-T) for all three mouse brain atlases can be accessed via 10.35077/
Reproduced under the paper's license (CC BY), from the paper cited above.
Versions
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Version 1, 30 September 2026: the first record
Recorded: type, language, journal, volume, issue, pages, dates, 3 authors, 6 keywords, 8 MeSH terms, 1 funder, 12 references.
Cite
This paper
Berg, I., Wu, J., & Koelzer, V. H. (2026). Generative cerebral vasculature visualization using spatial transcriptomic data. Scientific reports, 16(1), 15540. https://
BibTeX
@article{berg2026generat
author = {Berg, Ingrid and Wu, Jiqing and Koelzer, Viktor H.},
title = {{Generative cerebral vasculature visualization using spatial transcriptomic data}},
journal = {Scientific reports},
year = {2026},
month = mar,
volume = {16},
number = {1},
pages = {15540},
publisher = {Nature Publishing Group},
issn = {2045-2322},
doi = {10.1038/
url = {https://
pmid = {41917199},
pmcid = {PMC13187267}
}
RIS
TY - JOUR
AU - Berg, Ingrid
AU - Wu, Jiqing
AU - Koelzer, Viktor H.
TI - Generative cerebral vasculature visualization using spatial transcriptomic data
T2 - Scientific reports
J2 - Sci Rep
PY - 2026
DA - 2026/
VL - 16
IS - 1
SP - 15540
SN - 2045-2322
PB - Nature Publishing Group
DO - 10.1038/
UR - https://
LA - en
ER -
CSL-JSON
{
"id": "10.1038/
"type": "article-journal",
"title": "Generative cerebral vasculature visualization using spatial transcriptomic data",
"container-title": "Scientific reports",
"author": [
{
"family": "Berg",
"given": "Ingrid"
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"family": "Wu",
"given": "Jiqing"
},
{
"family": "Koelzer",
"given": "Viktor H."
}
],
"container-title-short":
"volume": "16",
"issue": "1",
"page": "15540",
"DOI": "10.1038/
"PMID": "41917199",
"PMCID": "PMC13187267",
"ISSN": "2045-2322",
"publisher": "Nature Publishing Group",
"URL": "https://
"language": "en",
"issued": {
"date-parts": [
[
2026,
3,
31
]
]
}
}
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