"""Paths and hyperparameter configuration for prompt selection pipeline.""" from __future__ import annotations from dataclasses import dataclass from pathlib import Path # ---- Root directories ---- PROJECT_ROOT = Path("/home/hp250092/ku50001222/qian/aivc/lfj/transfer") DATA_DIR = PROJECT_ROOT / "data" RESULTS_DIR = DATA_DIR / "prompt_selection_results" BASELINE_DIR = DATA_DIR / "baseline_results" EVAL_DIR = DATA_DIR / "eval_results" # ---- Input data ---- SOURCE_ADATA = DATA_DIR / "tutorial-pred-data" / "openproblems_donor1.h5ad" # ---- Model checkpoints ---- EMBED_MODEL_DIR = DATA_DIR / "tutorial-embed-model" EMBED_CKPT = EMBED_MODEL_DIR / "bc_large.ckpt" GENELIST_PATH = DATA_DIR / "tutorial-pred-model" / "basecount_1000per_15000max.pkl" ALIGNED_CKPT = DATA_DIR / "tutorial-pred-model" / "bc_large_aligned.ckpt" # ---- HuggingFace repo for embedding checkpoint ---- HF_EMBED_REPO = "arcinstitute/Stack-Large" # ---- Cell subset filters (shared across all perturbations) ---- QUERY_FILTER = {"broad_cell_class": "lymphocyte of b lineage", "sm_name": "Dimethyl Sulfoxide"} PROMPT_CTRL_FILTER = {"broad_cell_class": "t cell", "sm_name": "Dimethyl Sulfoxide"} # ---- Control perturbation name ---- CONTROL_NAME = "Dimethyl Sulfoxide" # ---- Shared intermediate file names (inside RESULTS_DIR root) ---- QUERY_CTRL_H5AD = "query_ctrl.h5ad" PROMPT_CTRL_H5AD = "prompt_ctrl.h5ad" QUERY_EMB_NPY = "query_embeddings.npy" PROMPT_CTRL_EMB_NPY = "prompt_ctrl_embeddings.npy" # ---- Per-perturbation intermediate file names (inside RESULTS_DIR / pert_name) ---- PROMPT_PERT_H5AD = "prompt_pert.h5ad" PREDICTED_PERT_H5AD = "predicted_pert.h5ad" PROMPT_PERT_EMB_NPY = "prompt_pert_embeddings.npy" PREDICTED_PERT_EMB_NPY = "predicted_pert_embeddings.npy" # ---- Generation hyperparameters ---- NUM_STEPS = 5 PROMPT_RATIO = 0.25 CONTEXT_RATIO = 0.4 CONTEXT_RATIO_MIN = 0.2 BATCH_SIZE = 32 NUM_WORKERS = 4 # ---- Prompt selection hyperparameters ---- TOP_K1 = 512 # Stage 1: number of ctrl prompts to shortlist # ---- All perturbation conditions ---- ALL_PERTURBATIONS = [ "Belinostat", "CHIR-99021", "Crizotinib", "Dabrafenib", "Dactolisib", "Foretinib", "Idelalisib", "LDN 193189", "Linagliptin", "O-Demethylated Adapalene", "Palbociclib", "Penfluridol", "Porcn Inhibitor III", "R428", ] @dataclass class PertConfig: """Per-perturbation path configuration.""" perturbation_name: str prompt_pert_filter: dict results_dir: Path baseline_dir: Path eval_dir: Path final_result_h5ad: str baseline_result_h5ad: str def get_pert_config(pert_name: str) -> PertConfig: """Return path configuration for a specific perturbation condition.""" return PertConfig( perturbation_name=pert_name, prompt_pert_filter={"broad_cell_class": "t cell", "sm_name": pert_name}, results_dir=RESULTS_DIR / pert_name, baseline_dir=BASELINE_DIR / pert_name, eval_dir=EVAL_DIR / pert_name, final_result_h5ad=f"predicted_bcells_{pert_name}.h5ad", baseline_result_h5ad=f"baseline_random_{pert_name}.h5ad", )