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Browse files- 10_paper_strengthening/README.md +99 -0
- 10_paper_strengthening/p0_minimum_paper_closure.sh +36 -0
- 10_paper_strengthening/p1_conditioning_ablation.sh +65 -0
- 10_paper_strengthening/p1_mask_ratio_ablation.sh +79 -0
- 10_paper_strengthening/p2_diffusion_steps_ablation.sh +41 -0
- 10_paper_strengthening/p2_test_split_diffusion.sh +37 -0
- 10_paper_strengthening/p3_seed_repeats_diffusion.sh +44 -0
- evaluate_ar_conditioned.sh +27 -0
- evaluate_ar_unconditional.sh +26 -0
- train_ar_conditioned.sh +30 -0
- train_ar_unconditional.sh +29 -0
10_paper_strengthening/README.md
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| 1 |
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# Paper Strengthening Experiments
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| 2 |
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| 3 |
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These scripts add the experiments needed to make the project closer to a
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| 4 |
+
defensible paper rather than only a working demo.
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| 5 |
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| 6 |
+
Run them after `01_data`, `02_predictor`, and the first `04_diffusion`
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| 7 |
+
conditioned model are complete.
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| 8 |
+
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| 9 |
+
Before running any script on the GPU server, set the project-local paths:
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| 10 |
+
|
| 11 |
+
```bash
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| 12 |
+
cd /inspire/hdd/project/intelligentcreativedesign/dangshengqi-253114050252/z-anna/genrl-enhancer-diffusion
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| 13 |
+
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| 14 |
+
export PROJECT_ROOT=$(pwd)
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| 15 |
+
export RUN_ROOT=${PROJECT_ROOT}/paper_runs
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| 16 |
+
export HF_ENDPOINT=https://hf-mirror.com
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| 17 |
+
export TRANSFORMERS_NO_TF=1
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| 18 |
+
export USE_TF=0
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| 19 |
+
export TOKENIZERS_PARALLELISM=false
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| 20 |
+
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| 21 |
+
source scripts/00_setup/env.sh
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+
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| 23 |
+
export DEEPSTARR_DIR=${PROJECT_ROOT}/datas/DeepSTARR-enhancer-activity
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| 24 |
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export DEEPSTARR_DATASET_ID=${DEEPSTARR_DIR}
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+
export GENERATOR_BASE_MODEL=${PROJECT_ROOT}/models/GENERator-eukaryote-1.2b-base
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| 26 |
+
export GENERANNO_BASE_MODEL=${PROJECT_ROOT}/models/GENERanno-eukaryote-0.5b-base
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| 27 |
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export PREDICTOR_DIR=${PROJECT_ROOT}/paper_runs/results/deepstarr_regression
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| 28 |
+
export PREDICTOR_MODEL=${PREDICTOR_DIR}/best_model
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export DIFFUSION_MODEL=${PROJECT_ROOT}/saved_model/deepstarr_discrete_diffusion
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```
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## Priority Order
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| 34 |
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### P0: Minimum paper closure
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| 35 |
+
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| 36 |
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Run AR baselines, score them with the same predictor, score diffusion with the
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| 37 |
+
same predictor, then build tables and figures.
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| 38 |
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| 39 |
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```bash
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| 40 |
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nohup bash scripts/10_paper_strengthening/p0_minimum_paper_closure.sh > p0_minimum_paper_closure.log 2>&1 &
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| 41 |
+
tail -f p0_minimum_paper_closure.log
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| 42 |
+
```
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| 43 |
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| 44 |
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This is the minimum set for a paper-style comparison:
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| 45 |
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| 46 |
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- Reference DeepSTARR sequences.
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+
- GC-matched random baseline.
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| 48 |
+
- AR unconditional generation.
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| 49 |
+
- AR bucket-conditioned generation.
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| 50 |
+
- Masked diffusion bucket-conditioned generation.
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| 51 |
+
- Shared predictor scoring.
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| 52 |
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- Sequence quality and distribution metrics.
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| 53 |
+
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| 54 |
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### P1: Core ablations
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| 55 |
+
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| 56 |
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Mask-ratio ablation:
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| 57 |
+
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| 58 |
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```bash
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| 59 |
+
nohup bash scripts/10_paper_strengthening/p1_mask_ratio_ablation.sh > p1_mask_ratio_ablation.log 2>&1 &
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| 60 |
+
tail -f p1_mask_ratio_ablation.log
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| 61 |
+
```
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| 62 |
+
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| 63 |
+
Conditioning ablation:
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| 64 |
+
|
| 65 |
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```bash
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| 66 |
+
nohup bash scripts/10_paper_strengthening/p1_conditioning_ablation.sh > p1_conditioning_ablation.log 2>&1 &
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| 67 |
+
tail -f p1_conditioning_ablation.log
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| 68 |
+
```
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| 69 |
+
|
| 70 |
+
These directly support the paper claim that mask-controlled diffusion is a
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| 71 |
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mutation-budget design method and that conditioning improves controllability.
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| 72 |
+
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| 73 |
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### P2: Final split and efficiency analysis
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| 74 |
+
|
| 75 |
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Evaluate the best diffusion model on the test split:
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| 76 |
+
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| 77 |
+
```bash
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| 78 |
+
nohup bash scripts/10_paper_strengthening/p2_test_split_diffusion.sh > p2_test_split_diffusion.log 2>&1 &
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| 79 |
+
tail -f p2_test_split_diffusion.log
|
| 80 |
+
```
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| 81 |
+
|
| 82 |
+
Evaluate different denoising step counts:
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| 83 |
+
|
| 84 |
+
```bash
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| 85 |
+
nohup bash scripts/10_paper_strengthening/p2_diffusion_steps_ablation.sh > p2_diffusion_steps_ablation.log 2>&1 &
|
| 86 |
+
tail -f p2_diffusion_steps_ablation.log
|
| 87 |
+
```
|
| 88 |
+
|
| 89 |
+
### P3: Seed robustness
|
| 90 |
+
|
| 91 |
+
Run generation/evaluation with several seeds:
|
| 92 |
+
|
| 93 |
+
```bash
|
| 94 |
+
nohup bash scripts/10_paper_strengthening/p3_seed_repeats_diffusion.sh > p3_seed_repeats_diffusion.log 2>&1 &
|
| 95 |
+
tail -f p3_seed_repeats_diffusion.log
|
| 96 |
+
```
|
| 97 |
+
|
| 98 |
+
Use the resulting means and standard deviations in the final tables.
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| 99 |
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10_paper_strengthening/p0_minimum_paper_closure.sh
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#!/usr/bin/env bash
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| 2 |
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set -euo pipefail
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| 3 |
+
|
| 4 |
+
SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)"
|
| 5 |
+
source "${SCRIPT_DIR}/../00_setup/env.sh"
|
| 6 |
+
|
| 7 |
+
: "${DEEPSTARR_DIR:?Set DEEPSTARR_DIR to the local DeepSTARR parquet directory.}"
|
| 8 |
+
: "${GENERATOR_BASE_MODEL:?Set GENERATOR_BASE_MODEL to the local GENERator model.}"
|
| 9 |
+
: "${GENERANNO_BASE_MODEL:?Set GENERANNO_BASE_MODEL to the local GENERanno model.}"
|
| 10 |
+
: "${PREDICTOR_MODEL:?Set PREDICTOR_MODEL to the trained predictor best_model directory.}"
|
| 11 |
+
: "${DIFFUSION_MODEL:?Set DIFFUSION_MODEL to the trained diffusion saved model directory.}"
|
| 12 |
+
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| 13 |
+
export NUM_PER_BUCKET="${NUM_PER_BUCKET:-128}"
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| 14 |
+
export NUM_DIFFUSION_STEPS="${NUM_DIFFUSION_STEPS:-64}"
|
| 15 |
+
export DIFFUSION_EVAL_BATCH_SIZE="${DIFFUSION_EVAL_BATCH_SIZE:-512}"
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| 16 |
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export PREDICTOR_SCORE_BATCH_SIZE="${PREDICTOR_SCORE_BATCH_SIZE:-64}"
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| 17 |
+
export DIFFUSION_SCORE_BATCH_SIZE="${DIFFUSION_SCORE_BATCH_SIZE:-64}"
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| 18 |
+
export PLL_CHUNK_SIZE="${PLL_CHUNK_SIZE:-64}"
|
| 19 |
+
|
| 20 |
+
bash "${SCRIPT_DIR}/../02_predictor/plot_predictor_validation.sh"
|
| 21 |
+
|
| 22 |
+
bash "${SCRIPT_DIR}/../03_ar_generation/train_ar_unconditional.sh"
|
| 23 |
+
bash "${SCRIPT_DIR}/../03_ar_generation/train_ar_conditioned.sh"
|
| 24 |
+
bash "${SCRIPT_DIR}/../03_ar_generation/evaluate_ar_unconditional.sh"
|
| 25 |
+
bash "${SCRIPT_DIR}/../03_ar_generation/evaluate_ar_conditioned.sh"
|
| 26 |
+
|
| 27 |
+
bash "${SCRIPT_DIR}/../05_scoring/score_ar_unconditional.sh"
|
| 28 |
+
bash "${SCRIPT_DIR}/../05_scoring/score_ar_conditioned.sh"
|
| 29 |
+
|
| 30 |
+
bash "${SCRIPT_DIR}/../04_diffusion/evaluate_diffusion_with_predictor.sh"
|
| 31 |
+
|
| 32 |
+
bash "${SCRIPT_DIR}/../06_sequence_metrics/compute_sequence_metrics.sh"
|
| 33 |
+
bash "${SCRIPT_DIR}/../08_visualization/make_paper_figures.sh"
|
| 34 |
+
|
| 35 |
+
echo "P0 minimum paper closure completed under ${RUN_ROOT}"
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| 36 |
+
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10_paper_strengthening/p1_conditioning_ablation.sh
ADDED
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| 1 |
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#!/usr/bin/env bash
|
| 2 |
+
set -euo pipefail
|
| 3 |
+
|
| 4 |
+
SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)"
|
| 5 |
+
source "${SCRIPT_DIR}/../00_setup/env.sh"
|
| 6 |
+
|
| 7 |
+
: "${DEEPSTARR_DIR:?Set DEEPSTARR_DIR to the local DeepSTARR parquet directory.}"
|
| 8 |
+
: "${GENERANNO_BASE_MODEL:?Set GENERANNO_BASE_MODEL to the local GENERanno model.}"
|
| 9 |
+
: "${PREDICTOR_MODEL:?Set PREDICTOR_MODEL to the trained predictor best_model directory.}"
|
| 10 |
+
|
| 11 |
+
export DIFFUSION_ABLATION_EPOCHS="${DIFFUSION_ABLATION_EPOCHS:-1}"
|
| 12 |
+
export DIFFUSION_ABLATION_BATCH_SIZE="${DIFFUSION_ABLATION_BATCH_SIZE:-128}"
|
| 13 |
+
export DIFFUSION_ABLATION_GRAD_ACCUM="${DIFFUSION_ABLATION_GRAD_ACCUM:-1}"
|
| 14 |
+
export DIFFUSION_ABLATION_LR="${DIFFUSION_ABLATION_LR:-5e-5}"
|
| 15 |
+
export DIFFUSION_EVAL_BATCH_SIZE="${DIFFUSION_EVAL_BATCH_SIZE:-512}"
|
| 16 |
+
export PREDICTOR_SCORE_BATCH_SIZE="${PREDICTOR_SCORE_BATCH_SIZE:-64}"
|
| 17 |
+
export NUM_PER_BUCKET="${NUM_PER_BUCKET:-128}"
|
| 18 |
+
export NUM_DIFFUSION_STEPS="${NUM_DIFFUSION_STEPS:-64}"
|
| 19 |
+
|
| 20 |
+
mkdir -p "${MODEL_ROOT}/ablations" "${RESULT_ROOT}/ablations"
|
| 21 |
+
|
| 22 |
+
cd "${GENERANNO_DIR}"
|
| 23 |
+
|
| 24 |
+
UNCOND_MODEL="${MODEL_ROOT}/ablations/diffusion_unconditioned"
|
| 25 |
+
UNCOND_CKPT="${RESULT_ROOT}/checkpoints/diffusion_unconditioned"
|
| 26 |
+
UNCOND_RESULT="${RESULT_ROOT}/ablations/diffusion_unconditioned_valid_predictor"
|
| 27 |
+
|
| 28 |
+
python3 src/tasks/downstream/discrete_diffusion_train.py \
|
| 29 |
+
--model_name "${GENERANNO_BASE_MODEL}" \
|
| 30 |
+
--dataset_dir "${DEEPSTARR_DIR}" \
|
| 31 |
+
--output_dir "${UNCOND_CKPT}" \
|
| 32 |
+
--saved_model_dir "${UNCOND_MODEL}" \
|
| 33 |
+
--sequence_col sequence \
|
| 34 |
+
--label_col label \
|
| 35 |
+
--score_mode sum \
|
| 36 |
+
--max_length "${DIFFUSION_MAX_LENGTH:-256}" \
|
| 37 |
+
--num_train_epochs "${DIFFUSION_ABLATION_EPOCHS}" \
|
| 38 |
+
--batch_size "${DIFFUSION_ABLATION_BATCH_SIZE}" \
|
| 39 |
+
--gradient_accumulation_steps "${DIFFUSION_ABLATION_GRAD_ACCUM}" \
|
| 40 |
+
--learning_rate "${DIFFUSION_ABLATION_LR}" \
|
| 41 |
+
--num_diffusion_steps "${NUM_DIFFUSION_STEPS}" \
|
| 42 |
+
--bf16 \
|
| 43 |
+
--gradient_checkpointing \
|
| 44 |
+
--report_to none \
|
| 45 |
+
--run_name diffusion_unconditioned
|
| 46 |
+
|
| 47 |
+
python3 src/tasks/downstream/discrete_diffusion_evaluate.py \
|
| 48 |
+
--diffusion_model "${UNCOND_MODEL}" \
|
| 49 |
+
--base_model_for_code "${GENERANNO_BASE_MODEL}" \
|
| 50 |
+
--dataset_dir "${DEEPSTARR_DIR}" \
|
| 51 |
+
--predictor_model "${PREDICTOR_MODEL}" \
|
| 52 |
+
--split valid \
|
| 53 |
+
--num_per_bucket "${NUM_PER_BUCKET}" \
|
| 54 |
+
--sequence_length "${SEQUENCE_LENGTH:-246}" \
|
| 55 |
+
--num_diffusion_steps "${NUM_DIFFUSION_STEPS}" \
|
| 56 |
+
--batch_size "${DIFFUSION_EVAL_BATCH_SIZE}" \
|
| 57 |
+
--predictor_batch_size "${PREDICTOR_SCORE_BATCH_SIZE}" \
|
| 58 |
+
--max_length "${DIFFUSION_MAX_LENGTH:-256}" \
|
| 59 |
+
--temperature "${DIFFUSION_TEMPERATURE:-1.0}" \
|
| 60 |
+
--bf16 \
|
| 61 |
+
--attn_implementation "${ATTN_IMPLEMENTATION:-sdpa}" \
|
| 62 |
+
--output_dir "${UNCOND_RESULT}"
|
| 63 |
+
|
| 64 |
+
echo "P1 conditioning ablation completed under ${UNCOND_RESULT}"
|
| 65 |
+
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10_paper_strengthening/p1_mask_ratio_ablation.sh
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| 1 |
+
#!/usr/bin/env bash
|
| 2 |
+
set -euo pipefail
|
| 3 |
+
|
| 4 |
+
SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)"
|
| 5 |
+
source "${SCRIPT_DIR}/../00_setup/env.sh"
|
| 6 |
+
|
| 7 |
+
: "${DEEPSTARR_DIR:?Set DEEPSTARR_DIR to the local DeepSTARR parquet directory.}"
|
| 8 |
+
: "${GENERANNO_BASE_MODEL:?Set GENERANNO_BASE_MODEL to the local GENERanno model.}"
|
| 9 |
+
: "${PREDICTOR_MODEL:?Set PREDICTOR_MODEL to the trained predictor best_model directory.}"
|
| 10 |
+
|
| 11 |
+
export DIFFUSION_ABLATION_EPOCHS="${DIFFUSION_ABLATION_EPOCHS:-1}"
|
| 12 |
+
export DIFFUSION_ABLATION_BATCH_SIZE="${DIFFUSION_ABLATION_BATCH_SIZE:-1024}"
|
| 13 |
+
export DIFFUSION_ABLATION_GRAD_ACCUM="${DIFFUSION_ABLATION_GRAD_ACCUM:-1}"
|
| 14 |
+
export DIFFUSION_ABLATION_LR="${DIFFUSION_ABLATION_LR:-5e-5}"
|
| 15 |
+
export DIFFUSION_EVAL_BATCH_SIZE="${DIFFUSION_EVAL_BATCH_SIZE:-1024}"
|
| 16 |
+
export PREDICTOR_SCORE_BATCH_SIZE="${PREDICTOR_SCORE_BATCH_SIZE:-1024}"
|
| 17 |
+
export NUM_PER_BUCKET="${NUM_PER_BUCKET:-128}"
|
| 18 |
+
export NUM_DIFFUSION_STEPS="${NUM_DIFFUSION_STEPS:-64}"
|
| 19 |
+
|
| 20 |
+
mkdir -p "${MODEL_ROOT}/ablations" "${RESULT_ROOT}/ablations"
|
| 21 |
+
|
| 22 |
+
cd "${GENERANNO_DIR}"
|
| 23 |
+
|
| 24 |
+
run_mask_ablation() {
|
| 25 |
+
local name="$1"
|
| 26 |
+
local mask_min="$2"
|
| 27 |
+
local mask_max="$3"
|
| 28 |
+
local ckpt_dir="${RESULT_ROOT}/checkpoints/diffusion_mask_${name}"
|
| 29 |
+
local model_dir="${MODEL_ROOT}/ablations/diffusion_mask_${name}"
|
| 30 |
+
local result_dir="${RESULT_ROOT}/ablations/diffusion_mask_${name}_valid_predictor"
|
| 31 |
+
|
| 32 |
+
python3 src/tasks/downstream/discrete_diffusion_train.py \
|
| 33 |
+
--model_name "${GENERANNO_BASE_MODEL}" \
|
| 34 |
+
--dataset_dir "${DEEPSTARR_DIR}" \
|
| 35 |
+
--output_dir "${ckpt_dir}" \
|
| 36 |
+
--saved_model_dir "${model_dir}" \
|
| 37 |
+
--conditioned \
|
| 38 |
+
--sequence_col sequence \
|
| 39 |
+
--label_col label \
|
| 40 |
+
--score_mode sum \
|
| 41 |
+
--max_length "${DIFFUSION_MAX_LENGTH:-256}" \
|
| 42 |
+
--num_train_epochs "${DIFFUSION_ABLATION_EPOCHS}" \
|
| 43 |
+
--batch_size "${DIFFUSION_ABLATION_BATCH_SIZE}" \
|
| 44 |
+
--gradient_accumulation_steps "${DIFFUSION_ABLATION_GRAD_ACCUM}" \
|
| 45 |
+
--learning_rate "${DIFFUSION_ABLATION_LR}" \
|
| 46 |
+
--mask_prob_min "${mask_min}" \
|
| 47 |
+
--mask_prob_max "${mask_max}" \
|
| 48 |
+
--num_diffusion_steps "${NUM_DIFFUSION_STEPS}" \
|
| 49 |
+
--bf16 \
|
| 50 |
+
--gradient_checkpointing \
|
| 51 |
+
--report_to none \
|
| 52 |
+
--run_name "diffusion_mask_${name}"
|
| 53 |
+
|
| 54 |
+
python3 src/tasks/downstream/discrete_diffusion_evaluate.py \
|
| 55 |
+
--diffusion_model "${model_dir}" \
|
| 56 |
+
--base_model_for_code "${GENERANNO_BASE_MODEL}" \
|
| 57 |
+
--dataset_dir "${DEEPSTARR_DIR}" \
|
| 58 |
+
--predictor_model "${PREDICTOR_MODEL}" \
|
| 59 |
+
--split valid \
|
| 60 |
+
--conditioned \
|
| 61 |
+
--num_per_bucket "${NUM_PER_BUCKET}" \
|
| 62 |
+
--sequence_length "${SEQUENCE_LENGTH:-246}" \
|
| 63 |
+
--num_diffusion_steps "${NUM_DIFFUSION_STEPS}" \
|
| 64 |
+
--batch_size "${DIFFUSION_EVAL_BATCH_SIZE}" \
|
| 65 |
+
--predictor_batch_size "${PREDICTOR_SCORE_BATCH_SIZE}" \
|
| 66 |
+
--max_length "${DIFFUSION_MAX_LENGTH:-256}" \
|
| 67 |
+
--temperature "${DIFFUSION_TEMPERATURE:-1.0}" \
|
| 68 |
+
--bf16 \
|
| 69 |
+
--attn_implementation "${ATTN_IMPLEMENTATION:-sdpa}" \
|
| 70 |
+
--output_dir "${result_dir}"
|
| 71 |
+
}
|
| 72 |
+
|
| 73 |
+
run_mask_ablation "015_030" 0.15 0.30
|
| 74 |
+
run_mask_ablation "030_050" 0.30 0.50
|
| 75 |
+
run_mask_ablation "050_070" 0.50 0.70
|
| 76 |
+
run_mask_ablation "070_090" 0.70 0.90
|
| 77 |
+
|
| 78 |
+
echo "P1 mask-ratio ablation completed under ${RESULT_ROOT}/ablations"
|
| 79 |
+
|
10_paper_strengthening/p2_diffusion_steps_ablation.sh
ADDED
|
@@ -0,0 +1,41 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
#!/usr/bin/env bash
|
| 2 |
+
set -euo pipefail
|
| 3 |
+
|
| 4 |
+
SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)"
|
| 5 |
+
source "${SCRIPT_DIR}/../00_setup/env.sh"
|
| 6 |
+
|
| 7 |
+
: "${DEEPSTARR_DIR:?Set DEEPSTARR_DIR to the local DeepSTARR parquet directory.}"
|
| 8 |
+
: "${DIFFUSION_MODEL:?Set DIFFUSION_MODEL to the trained diffusion saved model directory.}"
|
| 9 |
+
: "${GENERANNO_BASE_MODEL:?Set GENERANNO_BASE_MODEL to the local GENERanno model.}"
|
| 10 |
+
: "${PREDICTOR_MODEL:?Set PREDICTOR_MODEL to the trained predictor best_model directory.}"
|
| 11 |
+
|
| 12 |
+
export NUM_PER_BUCKET="${NUM_PER_BUCKET:-128}"
|
| 13 |
+
export DIFFUSION_EVAL_BATCH_SIZE="${DIFFUSION_EVAL_BATCH_SIZE:-512}"
|
| 14 |
+
export PREDICTOR_SCORE_BATCH_SIZE="${PREDICTOR_SCORE_BATCH_SIZE:-64}"
|
| 15 |
+
|
| 16 |
+
mkdir -p "${RESULT_ROOT}/ablations"
|
| 17 |
+
|
| 18 |
+
cd "${GENERANNO_DIR}"
|
| 19 |
+
|
| 20 |
+
for steps in 16 32 64 128; do
|
| 21 |
+
python3 src/tasks/downstream/discrete_diffusion_evaluate.py \
|
| 22 |
+
--diffusion_model "${DIFFUSION_MODEL}" \
|
| 23 |
+
--base_model_for_code "${GENERANNO_BASE_MODEL}" \
|
| 24 |
+
--dataset_dir "${DEEPSTARR_DIR}" \
|
| 25 |
+
--predictor_model "${PREDICTOR_MODEL}" \
|
| 26 |
+
--split valid \
|
| 27 |
+
--conditioned \
|
| 28 |
+
--num_per_bucket "${NUM_PER_BUCKET}" \
|
| 29 |
+
--sequence_length "${SEQUENCE_LENGTH:-246}" \
|
| 30 |
+
--num_diffusion_steps "${steps}" \
|
| 31 |
+
--batch_size "${DIFFUSION_EVAL_BATCH_SIZE}" \
|
| 32 |
+
--predictor_batch_size "${PREDICTOR_SCORE_BATCH_SIZE}" \
|
| 33 |
+
--max_length "${DIFFUSION_MAX_LENGTH:-256}" \
|
| 34 |
+
--temperature "${DIFFUSION_TEMPERATURE:-1.0}" \
|
| 35 |
+
--bf16 \
|
| 36 |
+
--attn_implementation "${ATTN_IMPLEMENTATION:-sdpa}" \
|
| 37 |
+
--output_dir "${RESULT_ROOT}/ablations/diffusion_steps_${steps}_valid_predictor"
|
| 38 |
+
done
|
| 39 |
+
|
| 40 |
+
echo "P2 diffusion step ablation completed under ${RESULT_ROOT}/ablations"
|
| 41 |
+
|
10_paper_strengthening/p2_test_split_diffusion.sh
ADDED
|
@@ -0,0 +1,37 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
#!/usr/bin/env bash
|
| 2 |
+
set -euo pipefail
|
| 3 |
+
|
| 4 |
+
SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)"
|
| 5 |
+
source "${SCRIPT_DIR}/../00_setup/env.sh"
|
| 6 |
+
|
| 7 |
+
: "${DEEPSTARR_DIR:?Set DEEPSTARR_DIR to the local DeepSTARR parquet directory.}"
|
| 8 |
+
: "${DIFFUSION_MODEL:?Set DIFFUSION_MODEL to the trained diffusion saved model directory.}"
|
| 9 |
+
: "${GENERANNO_BASE_MODEL:?Set GENERANNO_BASE_MODEL to the local GENERanno model.}"
|
| 10 |
+
: "${PREDICTOR_MODEL:?Set PREDICTOR_MODEL to the trained predictor best_model directory.}"
|
| 11 |
+
|
| 12 |
+
export NUM_PER_BUCKET="${NUM_PER_BUCKET:-128}"
|
| 13 |
+
export NUM_DIFFUSION_STEPS="${NUM_DIFFUSION_STEPS:-64}"
|
| 14 |
+
export DIFFUSION_EVAL_BATCH_SIZE="${DIFFUSION_EVAL_BATCH_SIZE:-512}"
|
| 15 |
+
export PREDICTOR_SCORE_BATCH_SIZE="${PREDICTOR_SCORE_BATCH_SIZE:-64}"
|
| 16 |
+
|
| 17 |
+
cd "${GENERANNO_DIR}"
|
| 18 |
+
python3 src/tasks/downstream/discrete_diffusion_evaluate.py \
|
| 19 |
+
--diffusion_model "${DIFFUSION_MODEL}" \
|
| 20 |
+
--base_model_for_code "${GENERANNO_BASE_MODEL}" \
|
| 21 |
+
--dataset_dir "${DEEPSTARR_DIR}" \
|
| 22 |
+
--predictor_model "${PREDICTOR_MODEL}" \
|
| 23 |
+
--split test \
|
| 24 |
+
--conditioned \
|
| 25 |
+
--num_per_bucket "${NUM_PER_BUCKET}" \
|
| 26 |
+
--sequence_length "${SEQUENCE_LENGTH:-246}" \
|
| 27 |
+
--num_diffusion_steps "${NUM_DIFFUSION_STEPS}" \
|
| 28 |
+
--batch_size "${DIFFUSION_EVAL_BATCH_SIZE}" \
|
| 29 |
+
--predictor_batch_size "${PREDICTOR_SCORE_BATCH_SIZE}" \
|
| 30 |
+
--max_length "${DIFFUSION_MAX_LENGTH:-256}" \
|
| 31 |
+
--temperature "${DIFFUSION_TEMPERATURE:-1.0}" \
|
| 32 |
+
--bf16 \
|
| 33 |
+
--attn_implementation "${ATTN_IMPLEMENTATION:-sdpa}" \
|
| 34 |
+
--output_dir "${RESULT_ROOT}/diffusion_test_predictor"
|
| 35 |
+
|
| 36 |
+
echo "P2 test split diffusion evaluation completed under ${RESULT_ROOT}/diffusion_test_predictor"
|
| 37 |
+
|
10_paper_strengthening/p3_seed_repeats_diffusion.sh
ADDED
|
@@ -0,0 +1,44 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
#!/usr/bin/env bash
|
| 2 |
+
set -euo pipefail
|
| 3 |
+
|
| 4 |
+
SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)"
|
| 5 |
+
source "${SCRIPT_DIR}/../00_setup/env.sh"
|
| 6 |
+
|
| 7 |
+
: "${DEEPSTARR_DIR:?Set DEEPSTARR_DIR to the local DeepSTARR parquet directory.}"
|
| 8 |
+
: "${DIFFUSION_MODEL:?Set DIFFUSION_MODEL to the trained diffusion saved model directory.}"
|
| 9 |
+
: "${GENERANNO_BASE_MODEL:?Set GENERANNO_BASE_MODEL to the local GENERanno model.}"
|
| 10 |
+
: "${PREDICTOR_MODEL:?Set PREDICTOR_MODEL to the trained predictor best_model directory.}"
|
| 11 |
+
|
| 12 |
+
export NUM_PER_BUCKET="${NUM_PER_BUCKET:-128}"
|
| 13 |
+
export NUM_DIFFUSION_STEPS="${NUM_DIFFUSION_STEPS:-64}"
|
| 14 |
+
export DIFFUSION_EVAL_BATCH_SIZE="${DIFFUSION_EVAL_BATCH_SIZE:-512}"
|
| 15 |
+
export PREDICTOR_SCORE_BATCH_SIZE="${PREDICTOR_SCORE_BATCH_SIZE:-64}"
|
| 16 |
+
export DIFFUSION_SEEDS="${DIFFUSION_SEEDS:-11 22 33}"
|
| 17 |
+
|
| 18 |
+
mkdir -p "${RESULT_ROOT}/seed_repeats"
|
| 19 |
+
|
| 20 |
+
cd "${GENERANNO_DIR}"
|
| 21 |
+
|
| 22 |
+
for seed in ${DIFFUSION_SEEDS}; do
|
| 23 |
+
python3 src/tasks/downstream/discrete_diffusion_evaluate.py \
|
| 24 |
+
--diffusion_model "${DIFFUSION_MODEL}" \
|
| 25 |
+
--base_model_for_code "${GENERANNO_BASE_MODEL}" \
|
| 26 |
+
--dataset_dir "${DEEPSTARR_DIR}" \
|
| 27 |
+
--predictor_model "${PREDICTOR_MODEL}" \
|
| 28 |
+
--split valid \
|
| 29 |
+
--conditioned \
|
| 30 |
+
--num_per_bucket "${NUM_PER_BUCKET}" \
|
| 31 |
+
--sequence_length "${SEQUENCE_LENGTH:-246}" \
|
| 32 |
+
--num_diffusion_steps "${NUM_DIFFUSION_STEPS}" \
|
| 33 |
+
--batch_size "${DIFFUSION_EVAL_BATCH_SIZE}" \
|
| 34 |
+
--predictor_batch_size "${PREDICTOR_SCORE_BATCH_SIZE}" \
|
| 35 |
+
--max_length "${DIFFUSION_MAX_LENGTH:-256}" \
|
| 36 |
+
--temperature "${DIFFUSION_TEMPERATURE:-1.0}" \
|
| 37 |
+
--seed "${seed}" \
|
| 38 |
+
--bf16 \
|
| 39 |
+
--attn_implementation "${ATTN_IMPLEMENTATION:-sdpa}" \
|
| 40 |
+
--output_dir "${RESULT_ROOT}/seed_repeats/diffusion_seed_${seed}_valid_predictor"
|
| 41 |
+
done
|
| 42 |
+
|
| 43 |
+
echo "P3 diffusion seed repeats completed under ${RESULT_ROOT}/seed_repeats"
|
| 44 |
+
|
evaluate_ar_conditioned.sh
ADDED
|
@@ -0,0 +1,27 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
#!/usr/bin/env bash
|
| 2 |
+
set -euo pipefail
|
| 3 |
+
|
| 4 |
+
SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)"
|
| 5 |
+
source "${SCRIPT_DIR}/../00_setup/env.sh"
|
| 6 |
+
|
| 7 |
+
for filename in modeling_generator.py tokenizer.py; do
|
| 8 |
+
if [[ -f "${GENERATOR_BASE_MODEL}/${filename}" && ! -f "${AR_COND_MODEL}/${filename}" ]]; then
|
| 9 |
+
cp "${GENERATOR_BASE_MODEL}/${filename}" "${AR_COND_MODEL}/${filename}"
|
| 10 |
+
fi
|
| 11 |
+
done
|
| 12 |
+
|
| 13 |
+
cd "${GENERATOR_DIR}"
|
| 14 |
+
python3 src/tasks/downstream/generation_validation.py \
|
| 15 |
+
--model_name "${AR_COND_MODEL}" \
|
| 16 |
+
--parquet_path "${CONDITIONED_DEEPSTARR_DIR}/valid.parquet" \
|
| 17 |
+
--sequence_col conditioned_sequence \
|
| 18 |
+
--conditioned_input \
|
| 19 |
+
--output_dir "${RESULT_ROOT}/ar_conditioned_valid" \
|
| 20 |
+
--num_samples "${NUM_GENERATION_SAMPLES:-384}" \
|
| 21 |
+
--prompt_bp_length "${PROMPT_BP_LENGTH:-120}" \
|
| 22 |
+
--continuation_bp_length "${CONTINUATION_BP_LENGTH:-126}" \
|
| 23 |
+
--batch_size "${GEN_BATCH_SIZE:-512}" \
|
| 24 |
+
--attn_implementation "${ATTN_IMPLEMENTATION:-sdpa}" \
|
| 25 |
+
--bf16 \
|
| 26 |
+
--report_to none \
|
| 27 |
+
--run_name ar_conditioned_valid
|
evaluate_ar_unconditional.sh
ADDED
|
@@ -0,0 +1,26 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
#!/usr/bin/env bash
|
| 2 |
+
set -euo pipefail
|
| 3 |
+
|
| 4 |
+
SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)"
|
| 5 |
+
source "${SCRIPT_DIR}/../00_setup/env.sh"
|
| 6 |
+
|
| 7 |
+
for filename in modeling_generator.py tokenizer.py; do
|
| 8 |
+
if [[ -f "${GENERATOR_BASE_MODEL}/${filename}" && ! -f "${AR_UNCOND_MODEL}/${filename}" ]]; then
|
| 9 |
+
cp "${GENERATOR_BASE_MODEL}/${filename}" "${AR_UNCOND_MODEL}/${filename}"
|
| 10 |
+
fi
|
| 11 |
+
done
|
| 12 |
+
|
| 13 |
+
cd "${GENERATOR_DIR}"
|
| 14 |
+
python3 src/tasks/downstream/generation_validation.py \
|
| 15 |
+
--model_name "${AR_UNCOND_MODEL}" \
|
| 16 |
+
--parquet_path "${DEEPSTARR_DIR}/valid.parquet" \
|
| 17 |
+
--sequence_col sequence \
|
| 18 |
+
--output_dir "${RESULT_ROOT}/ar_unconditional_valid" \
|
| 19 |
+
--num_samples "${NUM_GENERATION_SAMPLES:-384}" \
|
| 20 |
+
--prompt_bp_length "${PROMPT_BP_LENGTH:-120}" \
|
| 21 |
+
--continuation_bp_length "${CONTINUATION_BP_LENGTH:-126}" \
|
| 22 |
+
--batch_size "${GEN_BATCH_SIZE:-512}" \
|
| 23 |
+
--attn_implementation "${ATTN_IMPLEMENTATION:-sdpa}" \
|
| 24 |
+
--bf16 \
|
| 25 |
+
--report_to none \
|
| 26 |
+
--run_name ar_unconditional_valid
|
train_ar_conditioned.sh
ADDED
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| 1 |
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#!/usr/bin/env bash
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| 2 |
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set -euo pipefail
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| 3 |
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| 4 |
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SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)"
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| 5 |
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source "${SCRIPT_DIR}/../00_setup/env.sh"
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| 6 |
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| 7 |
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cd "${GENERATOR_DIR}"
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| 8 |
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python3 src/tasks/downstream/fine_tuning.py \
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| 9 |
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--model_name "${GENERATOR_BASE_MODEL}" \
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| 10 |
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--parquet_path "${CONDITIONED_DEEPSTARR_DIR}/train.parquet" \
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| 11 |
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--sequence_col conditioned_sequence \
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| 12 |
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--conditioned_input \
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| 13 |
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--output_dir "${RESULT_ROOT}/checkpoints/deepstarr_sft_conditioned" \
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| 14 |
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--saved_model_dir "${AR_COND_MODEL}" \
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| 15 |
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--tmp_dir "${RUN_ROOT}/tmp/deepstarr_sft_conditioned" \
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| 16 |
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--epochs "${AR_EPOCHS:-3}" \
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| 17 |
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--batch_size "${AR_BATCH_SIZE:-4}" \
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| 18 |
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--gradient_accumulation "${AR_GRAD_ACCUM:-1}" \
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| 19 |
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--lr "${AR_LR:-5e-5}" \
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| 20 |
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--max_token_length "${AR_MAX_TOKEN_LENGTH:-256}" \
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| 21 |
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--attn_implementation "${ATTN_IMPLEMENTATION:-sdpa}" \
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| 22 |
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--bf16 \
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| 23 |
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--report_to none \
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| 24 |
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--run_name deepstarr_sft_conditioned
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| 25 |
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| 26 |
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for filename in modeling_generator.py tokenizer.py; do
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| 27 |
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if [[ -f "${GENERATOR_BASE_MODEL}/${filename}" && ! -f "${AR_COND_MODEL}/${filename}" ]]; then
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| 28 |
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cp "${GENERATOR_BASE_MODEL}/${filename}" "${AR_COND_MODEL}/${filename}"
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| 29 |
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fi
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| 30 |
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done
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train_ar_unconditional.sh
ADDED
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@@ -0,0 +1,29 @@
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| 1 |
+
#!/usr/bin/env bash
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| 2 |
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set -euo pipefail
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| 3 |
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|
| 4 |
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SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)"
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| 5 |
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source "${SCRIPT_DIR}/../00_setup/env.sh"
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| 6 |
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| 7 |
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cd "${GENERATOR_DIR}"
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| 8 |
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python3 src/tasks/downstream/fine_tuning.py \
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| 9 |
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--model_name "${GENERATOR_BASE_MODEL}" \
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| 10 |
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--parquet_path "${DEEPSTARR_DIR}/train.parquet" \
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| 11 |
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--sequence_col sequence \
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| 12 |
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--output_dir "${RESULT_ROOT}/checkpoints/deepstarr_sft" \
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| 13 |
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--saved_model_dir "${AR_UNCOND_MODEL}" \
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| 14 |
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--tmp_dir "${RUN_ROOT}/tmp/deepstarr_sft" \
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| 15 |
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--epochs "${AR_EPOCHS:-3}" \
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| 16 |
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--batch_size "${AR_BATCH_SIZE:-4}" \
|
| 17 |
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--gradient_accumulation "${AR_GRAD_ACCUM:-1}" \
|
| 18 |
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--lr "${AR_LR:-5e-5}" \
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| 19 |
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--max_token_length "${AR_MAX_TOKEN_LENGTH:-256}" \
|
| 20 |
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--attn_implementation "${ATTN_IMPLEMENTATION:-sdpa}" \
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| 21 |
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--bf16 \
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| 22 |
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--report_to none \
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| 23 |
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--run_name deepstarr_sft_unconditional
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| 24 |
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|
| 25 |
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for filename in modeling_generator.py tokenizer.py; do
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| 26 |
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if [[ -f "${GENERATOR_BASE_MODEL}/${filename}" && ! -f "${AR_UNCOND_MODEL}/${filename}" ]]; then
|
| 27 |
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cp "${GENERATOR_BASE_MODEL}/${filename}" "${AR_UNCOND_MODEL}/${filename}"
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| 28 |
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fi
|
| 29 |
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done
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