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Generative cerebral vasculature visualization using spatial transcriptomic data.

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The authors' code

Python · 326 lines · 12 KB · MIT

  1. import os, math
  2. from typing import Tuple
  3. from torch import distributed
  4. from dataclasses import dataclass
  5. from multiprocessing import get_context
  6. from torch.utils.data import DataLoader
  7. from torch.utils.data.distributed import DistributedSampler
  8. from model import ModelConfig
  9. from model.blocks import ScaleAt
  10. from config_base import BaseConfig
  11. from utils.MBADataset import MBADataset
  12. from diffusion.resample import UniformSampler
  13. from diffusion.diffusion import space_timesteps
  14. from diffusion import SpacedDiffusionBeatGansConfig
  15. from diffusion.base import GenerativeType, LossType, ModelMeanType, ModelVarType, get_named_beta_schedule
  16. from utils.choices import OptimizerType, ModelName, ModelType, Activation, TrainMode, ManipulateMode, ManipulateLossType
  17. @dataclass
  18. class PretrainConfig(BaseConfig):
  19. name: str
  20. path: str
  21. @dataclass
  22. class TrainConfig(BaseConfig):
  23. is_tot: bool = False
  24. method: str = 'ours'
  25. dims: int = 2
  26. # random seed
  27. seed: int = 0
  28. train_mode: TrainMode = TrainMode.diffusion
  29. train_cond0_prob: float = 0
  30. train_pred_xstart_detach: bool = True
  31. train_interpolate_prob: float = 0
  32. train_interpolate_img: bool = False
  33. manipulate_mode: ManipulateMode = ManipulateMode.celebahq_all
  34. manipulate_cls: str = None
  35. manipulate_shots: int = None
  36. manipulate_loss: ManipulateLossType = ManipulateLossType.bce
  37. manipulate_znormalize: bool = False
  38. manipulate_seed: int = 0
  39. accum_batches: int = 1
  40. autoenc_mid_attn: bool = True
  41. batch_size: int = 16
  42. batch_size_eval: int = None
  43. beatgans_gen_type: GenerativeType = GenerativeType.ddim
  44. beatgans_loss_type: LossType = LossType.mse
  45. beatgans_model_mean_type: ModelMeanType = ModelMeanType.eps
  46. beatgans_model_var_type: ModelVarType = ModelVarType.fixed_large
  47. beatgans_rescale_timesteps: bool = False
  48. cfg: bool = False
  49. latent_infer_path: str = None
  50. latent_znormalize: bool = False
  51. latent_gen_type: GenerativeType = GenerativeType.ddim
  52. latent_loss_type: LossType = LossType.mse
  53. latent_model_mean_type: ModelMeanType = ModelMeanType.eps
  54. latent_model_var_type: ModelVarType = ModelVarType.fixed_large
  55. latent_rescale_timesteps: bool = False
  56. latent_T_eval: int = 1_000
  57. latent_clip_sample: bool = False
  58. latent_beta_scheduler: str = 'linear'
  59. beta_scheduler: str = 'linear'
  60. semantic_path: str = ''
  61. data_num: int = 0
  62. data_val_name: str = None
  63. diffusion_type: str = None
  64. dropout: float = 0.1
  65. ema_decay: float = 0.9999
  66. eval_num_images: int = 5_000
  67. eval_every_samples: int = 200_000
  68. eval_ema_every_samples: int = 200_000
  69. fid_use_torch: bool = True
  70. fp16: bool = False
  71. grad_clip: float = 1
  72. # initialize 32 to avoid divisble issue
  73. # caused by groupnorm
  74. rna_tpl: Tuple[int] = tuple(range(32))
  75. rna_num: int = 500
  76. stain: float = 'DAPI'
  77. # img_size: int = 64 # Deprecate
  78. image_size: int = 64
  79. input_size: int = None # expanded image size for equi
  80. gn_sz: int = 4
  81. lr: float = 0.0001
  82. optimizer: OptimizerType = OptimizerType.adam
  83. weight_decay: float = 0
  84. model_conf: ModelConfig = None
  85. model_name: ModelName = None
  86. model_type: ModelType = None
  87. full_model_path: str = ""
  88. patch_size: int = 64
  89. net_attn: Tuple[int] = None
  90. net_beatgans_attn_head: int = 1
  91. # not necessarily the same as the the number of style channels
  92. net_beatgans_embed_channels: int = 512
  93. net_resblock_updown: bool = True
  94. net_enc_use_time: bool = False
  95. net_enc_pool: str = 'adaptivenonzero'
  96. net_beatgans_gradient_checkpoint: bool = False
  97. net_beatgans_resnet_two_cond: bool = False
  98. net_beatgans_resnet_use_zero_module: bool = True
  99. net_beatgans_resnet_scale_at: ScaleAt = ScaleAt.after_norm
  100. net_beatgans_resnet_cond_channels: int = None
  101. net_ch_mult: Tuple[int] = None
  102. net_ch: int = 64
  103. net_enc_attn: Tuple[int] = None
  104. net_enc_k: int = None
  105. # number of resblocks for the encoder (half-unet)
  106. net_enc_num_res_blocks: int = 2
  107. net_enc_channel_mult: Tuple[int] = None
  108. net_enc_grad_checkpoint: bool = False
  109. net_autoenc_stochastic: bool = False
  110. net_latent_activation: Activation = Activation.silu
  111. net_latent_channel_mult: Tuple[int] = (1, 2, 4)
  112. net_latent_condition_bias: float = 0
  113. net_latent_dropout: float = 0
  114. net_latent_layers: int = None
  115. net_latent_net_last_act: Activation = Activation.none
  116. net_latent_net_type: bool = None
  117. net_latent_num_hid_channels: int = 1024
  118. net_latent_num_time_layers: int = 2
  119. net_latent_skip_layers: Tuple[int] = None
  120. net_latent_time_emb_channels: int = 64
  121. net_latent_use_norm: bool = False
  122. net_latent_time_last_act: bool = False
  123. net_num_res_blocks: int = 2
  124. # number of resblocks for the UNET
  125. net_num_input_res_blocks: int = None
  126. net_enc_num_cls: int = None
  127. num_workers: int = 4
  128. parallel: bool = False
  129. postfix: str = ''
  130. sample_size: int = 64
  131. sample_every_samples: int = 125_000
  132. save_every_samples: int = 100_000
  133. semantic_enc: bool = False
  134. style_ch: int = 512
  135. T_eval: int = 1_000
  136. T_sampler: str = 'uniform'
  137. T: int = 1_000
  138. total_samples: int = 10_000_000
  139. warmup: int = 0
  140. pretrain: PretrainConfig = None
  141. continue_from: PretrainConfig = None
  142. eval_programs: Tuple[str] = None
  143. # if present load the checkpoint from this path instead
  144. eval_path: str = None
  145. base_dir: str = 'checkpoints'
  146. use_cache_dataset: bool = False
  147. data_cache_dir: str = os.path.expanduser('~/cache')
  148. work_cache_dir: str = os.path.expanduser('~/mycache')
  149. # to be overridden
  150. name: str = 'test'
  151. output_dir: str = f'{work_cache_dir}/gen_images/{name}'
  152. data_path: str = ""
  153. use_pos: bool = True
  154. def __post_init__(self):
  155. self.batch_size_eval = self.batch_size_eval or self.batch_size
  156. # self.data_val_name = self.data_val_name or self.data_name
  157. def scale_up_gpus(self, num_gpus, num_nodes=1):
  158. self.eval_ema_every_samples *= num_gpus * num_nodes
  159. self.eval_every_samples *= num_gpus * num_nodes
  160. self.sample_every_samples *= num_gpus * num_nodes
  161. self.batch_size *= num_gpus * num_nodes
  162. self.batch_size_eval *= num_gpus * num_nodes
  163. return self
  164. @property
  165. def batch_size_effective(self):
  166. return self.batch_size * self.accum_batches
  167. @property
  168. def fid_cache(self):
  169. return f'{self.work_cache_dir}/eval_images/{self.data_name}_{self.eval_num_images}'
  170. @property
  171. def logdir(self):
  172. if self.name:
  173. return f'{self.base_dir}/{self.name}'
  174. else: return ""
  175. @property
  176. def generate_dir(self):
  177. return self.output_dir
  178. def _make_diffusion_conf(self, T=None):
  179. if self.diffusion_type == 'beatgans':
  180. if self.beatgans_gen_type == GenerativeType.ddpm:
  181. section_counts = [T]
  182. elif self.beatgans_gen_type == GenerativeType.ddim:
  183. section_counts = f'ddim{T}'
  184. else:
  185. raise NotImplementedError()
  186. return SpacedDiffusionBeatGansConfig(
  187. gen_type=self.beatgans_gen_type,
  188. model_type=self.model_type,
  189. betas=get_named_beta_schedule(self.beta_scheduler, self.T),
  190. model_mean_type=self.beatgans_model_mean_type,
  191. model_var_type=self.beatgans_model_var_type,
  192. loss_type=self.beatgans_loss_type,
  193. rescale_timesteps=self.beatgans_rescale_timesteps,
  194. use_timesteps=space_timesteps(num_timesteps=self.T,
  195. section_counts=section_counts),
  196. fp16=self.fp16,
  197. cfg=self.cfg,
  198. is_tot=self.is_tot,
  199. image_size=self.image_size,
  200. input_size=self.input_size or self.image_size,
  201. gn_sz=self.gn_sz,
  202. method=self.method,
  203. rna_tpl=self.rna_tpl
  204. )
  205. else:
  206. raise NotImplementedError()
  207. @property
  208. def model_out_channels(self):
  209. return 3
  210. def make_T_sampler(self):
  211. if self.T_sampler == 'uniform':
  212. return UniformSampler(self.T)
  213. else:
  214. raise NotImplementedError()
  215. def make_diffusion_conf(self):
  216. return self._make_diffusion_conf(self.T)
  217. def make_eval_diffusion_conf(self):
  218. return self._make_diffusion_conf(T=self.T_eval)
  219. def make_dataset(self, path=None, **kwargs):
  220. # 609882 0117 28
  221. if self.method == 'ours':
  222. coef = 2 if self.image_size == 128 else 4
  223. im_sz = coef * self.image_size
  224. use_exl = True if self.image_size == 32 else False
  225. else:
  226. coef = 2 if self.is_tot else 4
  227. im_sz = coef * self.image_size
  228. use_exl = True if self.image_size == 32 else False
  229. return MBADataset(self.data_path, self.rna_num,
  230. self.image_size//self.gn_sz,
  231. im_sz, self.gn_sz//2,
  232. snum=len(self.rna_tpl), stain=self.stain,
  233. transform=True, methd=self.method, use_exl=use_exl)
  234. def make_loader(self,
  235. dataset,
  236. collate_fn,
  237. shuffle: bool,
  238. num_worker: bool = None,
  239. drop_last: bool = True,
  240. batch_size: int = None,
  241. parallel: bool = False):
  242. if parallel and distributed.is_initialized():
  243. # drop last to make sure that there is no added special indexes
  244. sampler = DistributedSampler(dataset,
  245. shuffle=shuffle,
  246. drop_last=True)
  247. else:
  248. sampler = None
  249. return DataLoader(
  250. dataset,
  251. collate_fn=collate_fn,
  252. batch_size=batch_size or self.batch_size,
  253. sampler=sampler,
  254. shuffle=False if sampler else shuffle,
  255. num_workers=num_worker or self.num_workers,
  256. pin_memory=False,
  257. drop_last=drop_last,
  258. multiprocessing_context=get_context('fork'),
  259. )
  260. def make_model_conf(self):
  261. if self.method == 'patch-dm':
  262. from model.unet_patch_dm import BeatGANsUNetConfig
  263. self.model_type = ModelType.ddpm
  264. elif self.method == 'sinf':
  265. from model.unet_sinf import BeatGANsUNetConfig
  266. self.model_type = ModelType.ddpm
  267. elif self.method == 'ours':
  268. from model.unet_ours import BeatGANsUNetConfig
  269. self.model_type = ModelType.autoencoder
  270. elif self.method == 'ours_vis':
  271. from model.unet_attn import BeatGANsUNetConfig
  272. self.model_type = ModelType.autoencoder
  273. rchn = len(self.rna_tpl)
  274. rchn = math.ceil(rchn / 2)
  275. self.model_conf = BeatGANsUNetConfig(
  276. use_pos=self.use_pos,
  277. attention_resolutions=self.net_attn,
  278. channel_mult=self.net_ch_mult,
  279. conv_resample=True,
  280. semantic_path = self.semantic_path,
  281. data_num = self.data_num,
  282. dims=self.dims,
  283. dropout=self.dropout,
  284. embed_channels=self.net_beatgans_embed_channels,
  285. image_size=self.image_size,
  286. input_size=self.input_size or self.image_size,
  287. gn_sz=self.gn_sz,
  288. in_channels=rchn if self.stain != 'all' else rchn * 2,
  289. model_channels=self.net_ch,
  290. num_classes=None,
  291. num_head_channels=-1,
  292. num_heads_upsample=-1,
  293. num_heads=self.net_beatgans_attn_head,
  294. num_res_blocks=self.net_num_res_blocks,
  295. num_input_res_blocks=self.net_num_input_res_blocks,
  296. rna_tpl=self.rna_tpl,
  297. rna_num=self.rna_num,
  298. out_channels=rchn if self.stain != 'all' else rchn * 2,
  299. resblock_updown=self.net_resblock_updown,
  300. semantic_enc = self.semantic_enc,
  301. use_checkpoint=self.net_beatgans_gradient_checkpoint,
  302. use_new_attention_order=False,
  303. resnet_two_cond=self.net_beatgans_resnet_two_cond,
  304. resnet_use_zero_module=self.
  305. net_beatgans_resnet_use_zero_module)
  306. return self.model_conf

config.py at commit 083747d, under MIT · at the source

Overview

Authors: Ingrid Berg1, Jiqing Wu2, Viktor H. Koelzer2,3
  1. Department of Pathology and Molecular Pathology, University Hospital Zurich, University of Zurich,Zurich, Switzerland
  2. Department of Biomedical Engineering, University of Basel,Basel, Switzerland
  3. Institute of Medical Genetics and Pathology, University Hospital Basel,Basel, Switzerland
Institutions: University Hospital Zurich (Switzerland); University of Basel (Switzerland); University Hospital of Basel (Switzerland)
Journal: Scientific reports, volume 16, issue 1, article 15540
Dates: received 9 November 2025; accepted 25 March 2026; published online 31 March 2026
Type: Research article · Language: English
License: CC BY
Identifiers: DOI 10.1038/s41598-026-46455-4 · PMID 41917199 · PMCID PMC13187267 · OpenAlex W7146948067
Open access: gold, a free copy (OpenAlex)
Status: code verified (how the code is found and verified)
Categories: genetics / omics (modality), mouse (organism), cellular / molecular (subfield)
Keywords: Spatial transcriptomics, Generative modeling, Cerebral vasculature, Computational biology and bioinformatics, Neuroscience, Systems biology
MeSH: Brain*, Transcriptome*, Actins, Animals, Claudin-5, Generative Artificial Intelligence, Mice, Spatial Transcriptomics (* major topic)
Topic: Single-cell and spatial transcriptomics (Molecular Biology, Biochemistry, Genetics and Molecular Biology), according to OpenAlex
Funding: Promedica Foundation
Citations: not cited yet (Europe PMC); 12 references in the paper

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/s41598-026-46455-4.

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

License: MIT
State: the link answers, verified on 27 September 2026
Evidence: files inventoried
Commit: 083747d0ddc3d17ccbb31c5556b9f319d375852f, 24 June 2025
Languages: Python (32), Shell (7)
Size: 52 files, 39 scripts
Software Heritage: not archived
Found in: “Data availability”
Holds: README, license file, environment (environment.yml)
Not found: CITATION.cff, tests, continuous integration, documentation
Tools: PyTorch (23 files), NumPy (15 files), pandas (7 files), Pillow (6 files), Matplotlib (4 files), Cellpose (3 files), seaborn (3 files), OpenCV (2 files), PyTorch Lightning (1 file), SciPy (1 file)
Availability: 1 check, the latest on 27 September 2026: the link answers
  • 27 September 2026: the link answers
41 files

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:

  • 1 repository of the authors' code, each at its verified commit, with its license and how the link was found in the paper;
  • 39 scripts, each with its path and the digest of its content;
  • no match between paragraphs and code yet;
  • 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

Spatial transcriptomic and histological data (DAPI and Poly-T) for all three mouse brain atlases can be accessed via 10.35077/g.610. The processed spatial transcriptomic and histological data can be accessed via 10.35077/g.1176. The code and details on model training and testing are made available at the repository github.com/CTPLab/Tera-MIND.

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, 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://doi.org/10.1038/s41598-026-46455-4

BibTeX

@article{berg2026generative,
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/s41598-026-46455-4},
url = {https://doi.org/10.1038/s41598-026-46455-4},
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 - 2026/03/31
VL - 16
IS - 1
SP - 15540
SN - 2045-2322
PB - Nature Publishing Group
DO - 10.1038/s41598-026-46455-4
UR - https://doi.org/10.1038/s41598-026-46455-4
LA - en
ER -

CSL-JSON

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"container-title": "Scientific reports",
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"family": "Berg",
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"given": "Viktor H."
}
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"container-title-short": "Sci Rep",
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"issue": "1",
"page": "15540",
"DOI": "10.1038/s41598-026-46455-4",
"PMID": "41917199",
"PMCID": "PMC13187267",
"ISSN": "2045-2322",
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The tracing map gets a citation of its own once an author has validated it and it has a DOI.

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If you are an author or a maintainer of this paper's code, you can add this badge. It says what OSCR knows of the paper (its code, its validated tracing map) and links the code to this page. Paste one of these snippets under the README's title. Keep the two marks around it, so that the badge can be replaced in place and is never added twice. OSCR changes nothing in your repository.

Markdown
<!-- oscr-badge:start -->
[![OSCR](https://openscicode.org/badge/doi/10.1038/s41598-026-46455-4.svg)](https://openscicode.org/badge/doi/10.1038/s41598-026-46455-4)
<!-- oscr-badge:end -->
reStructuredText
.. oscr-badge:start

.. image:: https://openscicode.org/badge/doi/10.1038/s41598-026-46455-4.svg
   :target: https://openscicode.org/badge/doi/10.1038/s41598-026-46455-4
   :alt: OSCR

.. oscr-badge:end
HTML
<!-- oscr-badge:start -->
<a href="https://openscicode.org/badge/doi/10.1038/s41598-026-46455-4"><img src="https://openscicode.org/badge/doi/10.1038/s41598-026-46455-4.svg" alt="OSCR"></a>
<!-- oscr-badge:end -->

On GitHub, open the README, choose Edit (the pencil), paste the snippet under the title, then "Commit changes".

If you choose to, you can have the badge kept up to date for you, with oscr badge --write from the command line or with the GitHub Action in your repository's workflows. Every other form and option (a card, AsciiDoc, LaTeX, shields.io) is on the badge page.

Request its removal

To ask OSCR to remove this record, the copies of its authors' scripts or its tracing map, use the removal request page: signed in, you say who you are, what to remove and why, then review and confirm the request. Published rules decide every request (how).

Discussion, reproductions, activity

Discussion: code errors and mismatches between the code and the paper about this paper and its code, from readers and its authors, beside the paper and its tracing map.

Report a mismatch between the code and the paper · Report a code error (signed in)

Reproductions: reports from readers who ran the authors' code and did not get the paper's result, what they ran, with which environment, commit and data.

Report a reproduction failure (signed in)

Versions of its code: the releases of its code tied to a version of this paper (the preprint, the accepted manuscript, the version of record…), each with the tracing map versioned with it.

Activity: what happens around this paper: new versions of its record, its map's validation, discussions and reproductions. It opens with sign-in.