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Add canonical HetMoE checkpoints (ConvNet experts, hyperparams, ConvNet MoE, genomic zoo seeds 0/1/42) + model card (#1)

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- Add canonical HetMoE checkpoints (ConvNet experts, hyperparams, ConvNet MoE, genomic zoo seeds 0/1/42) + model card (fb066bb91ac2837fb41d328c387a4c705e6a17db)

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  1. README.md +85 -0
  2. experts/ARID3A.pth +3 -0
  3. experts/FOXM1.pth +3 -0
  4. experts/GABPA.pth +3 -0
  5. experts/GATA3.pth +3 -0
  6. experts/JUND.pth +3 -0
  7. experts/MAX.pth +3 -0
  8. experts/SP1.pth +3 -0
  9. hyperparams/ARID3A.pth +3 -0
  10. hyperparams/FOXM1.pth +3 -0
  11. hyperparams/GABPA.pth +3 -0
  12. hyperparams/GATA3.pth +3 -0
  13. hyperparams/JUND.pth +3 -0
  14. hyperparams/MAX.pth +3 -0
  15. hyperparams/SP1.pth +3 -0
  16. moe/moe_model.pth +3 -0
  17. moe/moe_model_config.pth +3 -0
  18. zoo/seed0/DanQ_ARID3A.pth +3 -0
  19. zoo/seed0/DanQ_FOXM1.pth +3 -0
  20. zoo/seed0/DanQ_GABPA.pth +3 -0
  21. zoo/seed0/DanQ_GATA3.pth +3 -0
  22. zoo/seed0/DanQ_JUND.pth +3 -0
  23. zoo/seed0/DanQ_MAX.pth +3 -0
  24. zoo/seed0/DanQ_SP1.pth +3 -0
  25. zoo/seed0/DeepSEA_ARID3A.pth +3 -0
  26. zoo/seed0/DeepSEA_FOXM1.pth +3 -0
  27. zoo/seed0/DeepSEA_GABPA.pth +3 -0
  28. zoo/seed0/DeepSEA_GATA3.pth +3 -0
  29. zoo/seed0/DeepSEA_JUND.pth +3 -0
  30. zoo/seed0/DeepSEA_MAX.pth +3 -0
  31. zoo/seed0/DeepSEA_SP1.pth +3 -0
  32. zoo/seed1/DanQ_ARID3A.pth +3 -0
  33. zoo/seed1/DanQ_FOXM1.pth +3 -0
  34. zoo/seed1/DanQ_GABPA.pth +3 -0
  35. zoo/seed1/DanQ_GATA3.pth +3 -0
  36. zoo/seed1/DanQ_JUND.pth +3 -0
  37. zoo/seed1/DanQ_MAX.pth +3 -0
  38. zoo/seed1/DanQ_SP1.pth +3 -0
  39. zoo/seed1/DeepSEA_ARID3A.pth +3 -0
  40. zoo/seed1/DeepSEA_FOXM1.pth +3 -0
  41. zoo/seed1/DeepSEA_GABPA.pth +3 -0
  42. zoo/seed1/DeepSEA_GATA3.pth +3 -0
  43. zoo/seed1/DeepSEA_JUND.pth +3 -0
  44. zoo/seed1/DeepSEA_MAX.pth +3 -0
  45. zoo/seed1/DeepSEA_SP1.pth +3 -0
  46. zoo/seed42/DanQ_ARID3A.pth +3 -0
  47. zoo/seed42/DanQ_FOXM1.pth +3 -0
  48. zoo/seed42/DanQ_GABPA.pth +3 -0
  49. zoo/seed42/DanQ_GATA3.pth +3 -0
  50. zoo/seed42/DanQ_JUND.pth +3 -0
README.md ADDED
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+ ---
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+ license: cc-by-nd-4.0
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+ tags:
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+ - TFBS
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+ - transcription-factor
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+ - genomics
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+ - mixture-of-experts
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+ - DNA
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+ library_name: pytorch
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+ pretty_name: ENCODE-TFBS Heterogeneous Mixture-of-Experts checkpoints
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+ datasets:
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+ - Lab-Rasool/ENCODE-TFBS
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+ ---
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+
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+ # ENCODE-TFBS — Heterogeneous Mixture-of-Experts checkpoints
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+
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+ Trained model checkpoints for **robust transcription-factor binding-site (TFBS) prediction with a
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+ heterogeneous Mixture-of-Experts (MoE)**. A dense, soft MoE gates over per-expert *embeddings* from a
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+ heterogeneous expert zoo (modified-DeepBIND **ConvNet** + **DeepSEA** + **DanQ**, each probed to a
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+ common 32-dim embedding), which improves **out-of-distribution (OOD)** generalization to unseen
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+ transcription factors.
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+
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+ These weights back the paper *"Robust Transcription Factor Binding Site Prediction and Explainability
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+ Using a Heterogeneous Mixture of Experts Architecture."* Code, training and evaluation pipeline:
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+ **https://github.com/lab-rasool/TFBS**. Training/eval data: **[Lab-Rasool/ENCODE-TFBS](https://huggingface.co/datasets/Lab-Rasool/ENCODE-TFBS)**.
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+
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+ ## Headline result (genomic, fair-negative protocol, 7 training factors)
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+
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+ Feeding the unchanged embedding-gating MoE a heterogeneous expert pool beats a fine-tuned DNABERT-6
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+ baseline on the motif-bearing OOD strata, averaged over seeds 0/1/42:
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+
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+ | Model | OOD AUC (mean ± std) |
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+ |---|---|
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+ | **HetMoE (this work)** | **0.821 ± 0.005** |
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+ | DNABERT-6 | 0.799 ± 0.008 |
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+
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+ Margin **+0.022**. Per-seed: seed 42 → 0.827, seed 0 → 0.818, seed 1 → 0.819.
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+
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+ ## Repository contents
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+
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+ ```
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+ experts/<TF>.pth 7 ConvNet experts (modified DeepBIND), one per training TF
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+ hyperparams/<TF>.pth per-expert hyperparameters (reproduce training without Optuna)
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+ moe/moe_model.pth homogeneous ConvNet-only MoE gate (+ moe_model_config.pth)
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+ zoo/seed{0,1,42}/ heterogeneous zoo probes — DeepSEA_<TF>.pth, DanQ_<TF>.pth
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+ (E=32 FeatureProbeExpert heads over frozen DeepSEA/DanQ trunks)
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+ ```
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+
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+ The genomic HetMoE for a given seed is the **21-expert** pool: the 7 `experts/` ConvNets plus the
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+ 14 `zoo/seed<N>/` DeepSEA + DanQ probes, with the `MixtureOfExperts` gate applied unchanged over the
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+ concatenated 32-dim embeddings. Only the three paper seeds (0, 1, 42) are published here.
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+
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+ **Transcription factors.** Training: `ARID3A, FOXM1, GATA3, JUND, MAX, GABPA, SP1`. OOD evaluation is
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+ stratified into within-family, cross-family (e.g. CTCF, STAT3), cell-line-transfer, and a separately
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+ reported non-motif appendix — see `tfbs/constants.py` in the code repo.
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+
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+ ## Usage
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+
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+ Install the `tfbs` package and load with the provided classes (`map_location` handles CPU-only nodes):
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+
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+ ```python
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+ from huggingface_hub import hf_hub_download
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+ import torch
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+ from tfbs.models import ConvNet, MixtureOfExperts # pip install -e . from github.com/lab-rasool/TFBS
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+
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+ ckpt = hf_hub_download("Lab-Rasool/ENCODE-TFBS", "experts/GATA3.pth")
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+ state = torch.load(ckpt, map_location="cpu", weights_only=True)
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+ ```
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+
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+ See the GitHub repo's README and `experiments/hetmoe/` for the full caching + gating pipeline that
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+ rebuilds the heterogeneous MoE from these checkpoints. DNABERT-6 features are derived on the fly from
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+ `zhihan1996/DNA_bert_6`; no BERT weights are stored here.
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+
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+ ## Reproducibility
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+
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+ The ConvNet conv bias (`wRect`) is a saved `nn.Parameter` and expert order is pinned to
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+ `tfbs.constants.TRAIN_TFS`, so re-running evaluation from these checkpoints is byte-identical on a
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+ given machine (minor device-numerics differences may remain across machines).
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+
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+ ## License
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+
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+ `cc-by-nd-4.0`, matching the [ENCODE-TFBS dataset](https://huggingface.co/datasets/Lab-Rasool/ENCODE-TFBS).
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+ The underlying ENCODE data are from the ENCODE Project.
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+ </content>
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+ </invoke>
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