File size: 11,112 Bytes
4516781 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 | # Copyright 2026 Google LLC.
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
# http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
"""Runs AlphaGenome track prediction evaluation.
By default this script refuses to download model weights. Pass --model_dir to
load a local Orbax checkpoint, or explicitly pass --allow_download=true to use
the original Kaggle Hub path.
"""
import functools
import pathlib
import pprint
import sys
_PROJECT_ROOT = pathlib.Path(__file__).resolve().parents[1]
if str(_PROJECT_ROOT) not in sys.path:
sys.path.insert(0, str(_PROJECT_ROOT))
from absl import app
from absl import flags
from absl import logging
from flax_model.alphagenome._sdk.data import fold_intervals
from flax_model.alphagenome._sdk.models import dna_output
from flax_model.alphagenome._sdk.models import dna_model as dna_model_types
from flax_model.alphagenome.evals.track_prediction import (
load_model as load_model_from_kaggle,
)
from flax_model.alphagenome.evals import regression_metrics
from flax_model.alphagenome.io.bundles import BundleName
from flax_model.alphagenome.io.dataset import get_numpy_dataset_iterator
from flax_model.alphagenome.model import dna_model as research_dna_model
from flax_model.alphagenome.model.metadata import metadata as metadata_lib
import jax
import jax.numpy as jnp
from jax import sharding
from jax.experimental import mesh_utils
import orbax.checkpoint as ocp
import pandas as pd
import tensorflow as tf
FLAGS = flags.FLAGS
PS = sharding.PartitionSpec
flags.DEFINE_string(
"model_version",
"FOLD_0",
"Evaluation fold/model version. Supported values are "
+ ",".join(version.name for version in dna_model_types.ModelVersion)
+ ".",
)
flags.DEFINE_enum(
"organism",
"HOMO_SAPIENS",
["HOMO_SAPIENS", "MUS_MUSCULUS"],
"Organism to evaluate.",
)
flags.DEFINE_string(
"output_path",
"./track_prediction_results.csv",
"Output CSV path.",
)
flags.DEFINE_string(
"model_dir",
None,
"Local AlphaGenome Orbax checkpoint directory. When set, model weights are "
"loaded from this directory and no online model download is attempted.",
)
flags.DEFINE_bool(
"allow_download",
False,
"Allow Kaggle Hub model download only when --model_dir is not provided.",
)
flags.DEFINE_string(
"data_dir",
None,
"Optional AlphaGenome TFRecord root. If unset, the dataset loader uses its "
"built-in default path.",
)
flags.DEFINE_list(
"bundles",
None,
"Comma-separated bundle names. Defaults to all supported evaluation "
"bundles: ATAC,CAGE,CHIP_HISTONE,CHIP_TF,DNASE,PROCAP,RNA_SEQ.",
)
_DEFAULT_EVAL_BUNDLES = [
BundleName.ATAC,
BundleName.CAGE,
BundleName.CHIP_HISTONE,
BundleName.CHIP_TF,
BundleName.DNASE,
BundleName.PROCAP,
BundleName.RNA_SEQ,
]
def _parse_model_version(value: str) -> dna_model_types.ModelVersion:
normalized = value.replace("-", "_").upper()
if normalized.startswith("ALPHAGENOME_"):
normalized = normalized.removeprefix("ALPHAGENOME_")
try:
return dna_model_types.ModelVersion[normalized]
except KeyError as exc:
valid = ", ".join(version.name for version in dna_model_types.ModelVersion)
raise ValueError(
f"Unsupported --model_version={value!r}. Valid values: {valid}."
) from exc
def _resolve_local_model_dir(path: str) -> pathlib.Path:
model_dir = pathlib.Path(path).expanduser()
if not model_dir.is_dir():
raise FileNotFoundError(
f"Local AlphaGenome model directory does not exist: {model_dir}"
)
if not (model_dir / "_CHECKPOINT_METADATA").exists():
raise FileNotFoundError(
"The model directory does not look like an Orbax checkpoint. "
f"Missing: {model_dir / '_CHECKPOINT_METADATA'}"
)
return model_dir
def load_model_from_local_checkpoint(
checkpoint_path: str,
organism: dna_model_types.Organism,
):
"""Loads eval params/state/predict_fn like run_inference.py does."""
checkpoint_path = _resolve_local_model_dir(checkpoint_path)
logging.info("Loading AlphaGenome model from local checkpoint: %s", checkpoint_path)
metadata = {organism: metadata_lib.load(organism)}
init_fn, apply_fn, _ = research_dna_model.create_model(metadata)
dna_sequence_shape = jax.ShapeDtypeStruct((1, 2048, 4), dtype=jnp.float32)
organism_index_shape = jax.ShapeDtypeStruct((1,), dtype=jnp.int32)
target_shapes = jax.eval_shape(
init_fn,
jax.random.PRNGKey(0),
dna_sequence_shape,
organism_index_shape,
)
params, state = ocp.StandardCheckpointer().restore(
str(checkpoint_path),
target=target_shapes,
strict=True,
)
@jax.jit
def predict(params, state, dna_sequence, organism_index):
predictions = apply_fn(params, state, dna_sequence, organism_index)
return research_dna_model.extract_predictions(predictions)
return params, state, predict
def _load_model(
model_version: dna_model_types.ModelVersion,
organism: dna_model_types.Organism,
):
if FLAGS.model_dir:
return load_model_from_local_checkpoint(FLAGS.model_dir, organism)
if FLAGS.allow_download:
logging.warning(
"No --model_dir was provided; downloading model weights from "
"Kaggle Hub because --allow_download=true."
)
return load_model_from_kaggle(model_version)
raise ValueError(
"No --model_dir was provided. Refusing to download model weights. "
"Pass --model_dir /path/to/alphagenome-all-folds, or explicitly pass "
"--allow_download=true to use Kaggle Hub."
)
def _resolve_data_dir(path: str | None) -> str | None:
if not path:
return None
if path.startswith("gs://"):
return path
data_dir = pathlib.Path(path).expanduser()
if not data_dir.is_dir():
raise FileNotFoundError(
f"Local AlphaGenome dataset directory does not exist: {data_dir}"
)
return str(data_dir)
def _mesh_context(mesh):
if hasattr(jax, "set_mesh"):
return jax.set_mesh(mesh)
return mesh
def create_eval_step(predict_fn, bundles):
"""Returns a JAX-version-compatible eval step."""
@jax.jit
def eval_step(params, state, batch):
predictions = predict_fn(
params,
state,
batch.dna_sequence,
batch.organism_index,
)
metrics_step = {}
for bundle in bundles:
targets_true, mask = batch.get_genome_tracks(bundle)
targets_pred = predictions[dna_output.OutputType[bundle.name]]
targets_pred = regression_metrics.crop_sequence_length(
targets_pred,
target_length=targets_true.shape[-2],
)
metrics_step[bundle.name] = regression_metrics.update_regression_metrics(
targets_true,
targets_pred,
mask,
)
return metrics_step
return eval_step
def evaluate(params, state, predict_fn, bundles, dataset_iterator):
"""Evaluates the model without relying on the library's jit decorator style."""
devices = mesh_utils.create_device_mesh((jax.local_device_count(),))
mesh = jax.sharding.Mesh(devices, axis_names=("data",))
sharding_rep = sharding.NamedSharding(mesh, PS())
sharding_data = sharding.NamedSharding(mesh, PS("data"))
params = jax.device_put(params, sharding_rep)
state = jax.device_put(state, sharding_rep)
eval_step = create_eval_step(predict_fn, bundles)
metrics = {
bundle.name: regression_metrics.initialize_regression_metrics()
for bundle in bundles
}
num_elements = 0
for i, (batch, _) in enumerate(dataset_iterator):
num_elements += batch.dna_sequence.shape[0]
if i % 5 == 1:
finalized = pprint.pformat(
regression_metrics.finalize_regression_metrics(metrics)
)
logging.info("step %d: %s", i, finalized)
with _mesh_context(mesh):
batch = jax.device_put(batch, sharding_data)
step_metrics = eval_step(params, state, batch)
step_metrics = jax.device_get(step_metrics)
metrics = regression_metrics.reduce_regression_metrics(
metrics,
step_metrics,
)
logging.info("num_elements: %d", num_elements)
return regression_metrics.finalize_regression_metrics(metrics)
def main(_):
# TensorFlow is only used for data loading; keep GPUs available to JAX.
tf.config.set_visible_devices([], "GPU")
model_version = _parse_model_version(FLAGS.model_version)
organism = dna_model_types.Organism[FLAGS.organism]
data_dir = _resolve_data_dir(FLAGS.data_dir)
logging.info("JAX devices: %s", jax.devices())
logging.info(
"Evaluation config: model_version=%s, organism=%s, model_dir=%s, "
"data_dir=%s",
model_version.name,
FLAGS.organism,
FLAGS.model_dir or "<download disabled>",
data_dir or "<loader default>",
)
if FLAGS.bundles:
eval_bundles = [BundleName[bundle.strip()] for bundle in FLAGS.bundles]
else:
eval_bundles = _DEFAULT_EVAL_BUNDLES
logging.info("Evaluation bundles: %s", [bundle.name for bundle in eval_bundles])
params, state, predict_fn = _load_model(model_version, organism)
dataset_iterator = get_numpy_dataset_iterator(
batch_size=jax.local_device_count(),
organism=organism,
model_version=model_version,
subset=fold_intervals.Subset.VALID,
bundles=eval_bundles,
path=data_dir,
)
logging.info("Starting evaluation.")
results = evaluate(
params=params,
state=state,
predict_fn=predict_fn,
bundles=eval_bundles,
dataset_iterator=dataset_iterator,
)
rows = []
for bundle_name, metrics in results.items():
for metric_name, value in metrics.items():
logging.info("%s / %s: %.4f", bundle_name, metric_name, value)
rows.append({
"bundle": bundle_name,
"metric": metric_name,
"value": float(value),
"model_version": model_version.name,
"organism": FLAGS.organism,
})
output_path = pathlib.Path(FLAGS.output_path)
output_path.parent.mkdir(parents=True, exist_ok=True)
pd.DataFrame(rows).to_csv(output_path, index=False)
logging.info("Saved results to: %s", output_path)
if __name__ == "__main__":
app.run(main)
|