File size: 40,110 Bytes
34a4bcb
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
# Copyright (c) MONAI Consortium
# 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.

from __future__ import annotations

import os
import shutil
import warnings
from copy import deepcopy
from time import sleep
from typing import Any, cast

import torch

from monai.apps.auto3dseg.bundle_gen import BundleGen
from monai.apps.auto3dseg.data_analyzer import DataAnalyzer
from monai.apps.auto3dseg.ensemble_builder import EnsembleRunner
from monai.apps.auto3dseg.hpo_gen import NNIGen
from monai.apps.auto3dseg.utils import export_bundle_algo_history, import_bundle_algo_history
from monai.apps.utils import get_logger
from monai.auto3dseg.utils import algo_to_pickle
from monai.bundle import ConfigParser
from monai.transforms import SaveImage
from monai.utils import AlgoKeys, has_option, look_up_option, optional_import
from monai.utils.misc import check_kwargs_exist_in_class_init, run_cmd

logger = get_logger(module_name=__name__)

nni, has_nni = optional_import("nni")


class AutoRunner:
    """
    An interface for handling Auto3Dseg with minimal inputs and understanding of the internal states in Auto3Dseg.
    The users can run the Auto3Dseg with default settings in one line of code. They can also customize the advanced
    features Auto3Dseg in a few additional lines. Examples of customization include

        - change cross-validation folds
        - change training/prediction parameters
        - change ensemble methods
        - automatic hyperparameter optimization.

    The output of the interface is a directory that contains

        - data statistics analysis report
        - algorithm definition files (scripts, configs, pickle objects) and training results (checkpoints, accuracies)
        - the predictions on the testing datasets from the final algorithm ensemble
        - a copy of the input arguments in form of YAML
        - cached intermediate results

    Args:
        work_dir: working directory to save the intermediate and final results.
        input: the configuration dictionary or the file path to the configuration in form of YAML.
            The configuration should contain datalist, dataroot, modality, multigpu, and class_names info.
        algos: optionally specify algorithms to use.  If a dictionary, must be in the form
            {"algname": dict(_target_="algname.scripts.algo.AlgnameAlgo", template_path="algname"), ...}
            If a list or a string, defines a subset of names of the algorithms to use, e.g. 'segresnet' or
            ['segresnet', 'dints'] out of the full set of algorithm templates provided by templates_path_or_url.
            Defaults to None, to use all available algorithms.
        analyze: on/off switch to run DataAnalyzer and generate a datastats report. Defaults to None, to automatically
            decide based on cache, and run data analysis only if we have not completed this step yet.
        algo_gen: on/off switch to run AlgoGen and generate templated BundleAlgos. Defaults to None, to automatically
            decide based on cache, and run algorithm folders generation only if we have not completed this step yet.
        train: on/off switch to run training and generate algorithm checkpoints. Defaults to None, to automatically
            decide based on cache, and run training only if we have not completed this step yet.
        hpo: use hyperparameter optimization (HPO) in the training phase. Users can provide a list of
            hyper-parameter and a search will be performed to investigate the algorithm performances.
        hpo_backend: a string that indicates the backend of the HPO. Currently, only NNI Grid-search mode
            is supported
        ensemble: on/off switch to run model ensemble and use the ensemble to predict outputs in testing
            datasets.
        not_use_cache: if the value is True, it will ignore all cached results in data analysis,
            algorithm generation, or training, and start the pipeline from scratch.
        templates_path_or_url: the folder with the algorithm templates or a url. If None provided, the default template
            zip url will be downloaded and extracted into the work_dir.
        allow_skip: a switch passed to BundleGen process which determines if some Algo in the default templates
            can be skipped based on the analysis on the dataset from Auto3DSeg DataAnalyzer.
        mlflow_tracking_uri: a tracking URI for MLflow server which could be local directory or address of the remote
            tracking Server; MLflow runs will be recorded locally in algorithms' model folder if the value is None.
        mlflow_experiment_name: the name of the experiment in MLflow server.
        kwargs: image writing parameters for the ensemble inference. The kwargs format follows the SaveImage
            transform. For more information, check https://docs.monai.io/en/stable/transforms.html#saveimage.


    Examples:
        - User can use the one-liner to start the Auto3Dseg workflow

        .. code-block:: bash

            python -m monai.apps.auto3dseg AutoRunner run --input \
            '{"modality": "ct", "datalist": "dl.json", "dataroot": "/dr", "multigpu": true, "class_names": ["A", "B"]}'

        - User can also save the input dictionary as a input YAML file and use the following one-liner

        .. code-block:: bash

            python -m monai.apps.auto3dseg AutoRunner run --input=./input.yaml

        - User can specify work_dir and data source config input and run AutoRunner:

        .. code-block:: python

            work_dir = "./work_dir"
            input = "path/to/input_yaml"
            runner = AutoRunner(work_dir=work_dir, input=input)
            runner.run()

        - User can specify a subset of algorithms to use and run AutoRunner:

        .. code-block:: python

            work_dir = "./work_dir"
            input = "path/to/input_yaml"
            algos = ["segresnet", "dints"]
            runner = AutoRunner(work_dir=work_dir, input=input, algos=algos)
            runner.run()

        - User can specify a local folder with algorithms templates and run AutoRunner:

        .. code-block:: python

            work_dir = "./work_dir"
            input = "path/to/input_yaml"
            algos = "segresnet"
            templates_path_or_url = "./local_path_to/algorithm_templates"
            runner = AutoRunner(work_dir=work_dir, input=input, algos=algos, templates_path_or_url=templates_path_or_url)
            runner.run()

        - User can specify training parameters by:

        .. code-block:: python

            input = "path/to/input_yaml"
            runner = AutoRunner(input=input)
            train_param = {
                "num_epochs_per_validation": 1,
                "num_images_per_batch": 2,
                "num_epochs": 2,
            }
            runner.set_training_params(params=train_param)  # 2 epochs
            runner.run()

        - User can specify the fold number of cross validation

        .. code-block:: python

            input = "path/to/input_yaml"
            runner = AutoRunner(input=input)
            runner.set_num_fold(n_fold = 2)
            runner.run()

        - User can specify the prediction parameters during algo ensemble inference:

        .. code-block:: python

            input = "path/to/input_yaml"
            pred_params = {
                'files_slices': slice(0,2),
                'mode': "vote",
                'sigmoid': True,
            }
            runner = AutoRunner(input=input)
            runner.set_prediction_params(params=pred_params)
            runner.run()

        - User can define a grid search space and use the HPO during training.

        .. code-block:: python

            input = "path/to/input_yaml"
            runner = AutoRunner(input=input, hpo=True)
            runner.set_nni_search_space({"learning_rate": {"_type": "choice", "_value": [0.0001, 0.001, 0.01, 0.1]}})
            runner.run()

    Notes:
        Expected results in the work_dir as below::

            work_dir/
            ├── algorithm_templates # bundle algo templates (scripts/configs)
            ├── cache.yaml          # Autorunner will automatically cache results to save time
            ├── datastats.yaml      # datastats of the dataset
            ├── dints_0             # network scripts/configs/checkpoints and pickle object of the algo
            ├── ensemble_output     # the prediction of testing datasets from the ensemble of the algos
            ├── input.yaml          # copy of the input data source configs
            ├── segresnet_0         # network scripts/configs/checkpoints and pickle object of the algo
            ├── segresnet2d_0       # network scripts/configs/checkpoints and pickle object of the algo
            └── swinunetr_0         # network scripts/configs/checkpoints and pickle object of the algo

    """

    analyze_params: dict | None

    def __init__(
        self,
        work_dir: str = "./work_dir",
        input: dict[str, Any] | str | None = None,
        algos: dict | list | str | None = None,
        analyze: bool | None = None,
        algo_gen: bool | None = None,
        train: bool | None = None,
        hpo: bool = False,
        hpo_backend: str = "nni",
        ensemble: bool = True,
        not_use_cache: bool = False,
        templates_path_or_url: str | None = None,
        allow_skip: bool = True,
        mlflow_tracking_uri: str | None = None,
        mlflow_experiment_name: str | None = None,
        **kwargs: Any,
    ):
        if input is None and os.path.isfile(os.path.join(os.path.abspath(work_dir), "input.yaml")):
            input = os.path.join(os.path.abspath(work_dir), "input.yaml")
            logger.info(f"Input config is not provided, using the default {input}")

        self.data_src_cfg = dict()
        if isinstance(input, dict):
            self.data_src_cfg = input
        elif isinstance(input, str) and os.path.isfile(input):
            self.data_src_cfg = ConfigParser.load_config_file(input)
            logger.info(f"Loading input config {input}")
        else:
            raise ValueError(f"{input} is not a valid file or dict")

        if "work_dir" in self.data_src_cfg:  # override from config
            work_dir = self.data_src_cfg["work_dir"]
        self.work_dir = os.path.abspath(work_dir)

        logger.info(f"AutoRunner using work directory {self.work_dir}")
        os.makedirs(self.work_dir, exist_ok=True)
        self.data_src_cfg_name = os.path.join(self.work_dir, "input.yaml")

        self.algos = algos
        self.templates_path_or_url = templates_path_or_url
        self.allow_skip = allow_skip

        # cache.yaml
        self.not_use_cache = not_use_cache
        self.cache_filename = os.path.join(self.work_dir, "cache.yaml")
        self.cache = self.read_cache()
        self.export_cache()

        # determine if we need to analyze, algo_gen or train from cache, unless manually provided
        self.analyze = not self.cache["analyze"] if analyze is None else analyze
        self.algo_gen = not self.cache["algo_gen"] if algo_gen is None else algo_gen
        self.train = train
        self.ensemble = ensemble  # last step, no need to check
        self.hpo = hpo and has_nni
        self.hpo_backend = hpo_backend
        self.mlflow_tracking_uri = mlflow_tracking_uri
        self.mlflow_experiment_name = mlflow_experiment_name
        self.kwargs = deepcopy(kwargs)

        # parse input config for AutoRunner param overrides
        for param in [
            "analyze",
            "algo_gen",
            "train",
            "hpo",
            "ensemble",
            "not_use_cache",
            "allow_skip",
        ]:  # override from config
            if param in self.data_src_cfg and isinstance(self.data_src_cfg[param], bool):
                setattr(self, param, self.data_src_cfg[param])  # e.g. self.analyze = self.data_src_cfg["analyze"]

        for param in [
            "algos",
            "hpo_backend",
            "templates_path_or_url",
            "mlflow_tracking_uri",
            "mlflow_experiment_name",
        ]:  # override from config
            if param in self.data_src_cfg:
                setattr(self, param, self.data_src_cfg[param])  # e.g. self.algos = self.data_src_cfg["algos"]

        missing_keys = {"dataroot", "datalist", "modality"}.difference(self.data_src_cfg.keys())
        if len(missing_keys) > 0:
            raise ValueError(f"Config keys are missing {missing_keys}")

        if not os.path.exists(self.data_src_cfg["datalist"]):
            raise ValueError(f"Datalist file is not found {self.data_src_cfg['datalist']}")

        # copy datalist to work_dir
        datalist_filename = os.path.join(self.work_dir, os.path.basename(self.data_src_cfg["datalist"]))
        if datalist_filename != self.data_src_cfg["datalist"]:
            try:
                shutil.copyfile(self.data_src_cfg["datalist"], datalist_filename)
                logger.info(f"Datalist was copied to work_dir: {datalist_filename}")
            except shutil.SameFileError:
                pass

        # inspect and update folds
        self.max_fold = self.inspect_datalist_folds(datalist_filename=datalist_filename)
        if "num_fold" in self.data_src_cfg:
            num_fold = int(self.data_src_cfg["num_fold"])  # override from config
            logger.info(f"Setting num_fold {num_fold} based on the input config.")
        else:
            num_fold = self.max_fold
            logger.info(f"Setting num_fold {num_fold} based on the input datalist {datalist_filename}.")

        self.data_src_cfg["datalist"] = datalist_filename  # update path to a version in work_dir and save user input
        ConfigParser.export_config_file(
            config=self.data_src_cfg, filepath=self.data_src_cfg_name, fmt="yaml", sort_keys=False
        )

        self.dataroot = self.data_src_cfg["dataroot"]
        self.datastats_filename = os.path.join(self.work_dir, "datastats.yaml")
        self.datalist_filename = datalist_filename

        self.set_training_params()
        self.set_device_info()
        self.set_prediction_params()
        self.set_analyze_params()
        self.set_ensemble_method()
        self.set_num_fold(num_fold=num_fold)

        self.gpu_customization = False
        self.gpu_customization_specs: dict[str, Any] = {}

        # hpo
        if self.hpo_backend.lower() != "nni":
            raise NotImplementedError("HPOGen backend only supports NNI")
        self.hpo = self.hpo and has_nni
        self.set_hpo_params()
        self.search_space: dict[str, dict[str, Any]] = {}
        self.hpo_tasks = 0

        if "sigmoid" not in self.kwargs and "sigmoid" in self.data_src_cfg:
            self.kwargs["sigmoid"] = self.data_src_cfg["sigmoid"]

    def read_cache(self):
        """
        Check if the intermediate result is cached after each step in the current working directory

        Returns:
            a dict of cache results. If not_use_cache is set to True, or there is no cache file in the
            working directory, the result will be ``empty_cache`` in which all ``has_cache`` keys are
            set to False.
        """

        empty_cache = {"analyze": False, "datastats": None, "algo_gen": False, "train": False}

        if self.not_use_cache or not os.path.isfile(self.cache_filename):
            return empty_cache

        cache = ConfigParser.load_config_file(self.cache_filename)

        for k, v in empty_cache.items():
            cache.setdefault(k, v)

        if cache["analyze"]:
            if not (isinstance(cache["datastats"], str) and os.path.isfile(cache["datastats"])):
                cache["analyze"] = False
                cache["datastats"] = None

        if cache["algo_gen"]:
            history = import_bundle_algo_history(self.work_dir, only_trained=False)
            if len(history) == 0:  # no saved algo_objects
                cache["algo_gen"] = False

        if cache["train"]:
            trained_history = import_bundle_algo_history(self.work_dir, only_trained=True)
            if len(trained_history) == 0:
                cache["train"] = False

        return cache

    def export_cache(self, **kwargs):
        """
        Save the cache state as ``cache.yaml`` in the working directory
        """
        self.cache.update(kwargs)
        ConfigParser.export_config_file(
            self.cache, self.cache_filename, fmt="yaml", default_flow_style=None, sort_keys=False
        )

    def inspect_datalist_folds(self, datalist_filename: str) -> int:
        """
        Returns number of folds in the datalist file, and assigns fold numbers if not provided.

        Args:
            datalist_filename: path to the datalist file.

        Notes:
            If the fold key is not provided, it auto generates 5 folds assignments in the training key list.
            If validation key list is available, then it assumes a single fold validation.
        """

        datalist = ConfigParser.load_config_file(datalist_filename)
        if "training" not in datalist:
            raise ValueError("Datalist files has no training key:" + str(datalist_filename))

        fold_list = [int(d["fold"]) for d in datalist["training"] if "fold" in d]

        if len(fold_list) > 0:
            num_fold = max(fold_list) + 1
            logger.info(f"Found num_fold {num_fold} based on the input datalist {datalist_filename}.")
            # check if every fold is present
            if len(set(fold_list)) != num_fold:
                raise ValueError(f"Fold numbers are not continuous from 0 to {num_fold - 1}")
        elif "validation" in datalist and len(datalist["validation"]) > 0:
            logger.info("No fold numbers provided, attempting to use a single fold based on the validation key")
            # update the datalist file
            for d in datalist["training"]:
                d["fold"] = 1
            for d in datalist["validation"]:
                d["fold"] = 0

            val_labels = {d["label"]: d for d in datalist["validation"] if "label" in d}
            logger.info(
                f"Found {len(val_labels)} items in the validation key, saving updated datalist to", datalist_filename
            )

            # check for duplicates
            for d in datalist["training"]:
                if d["label"] in val_labels:
                    d["fold"] = 0
                    del val_labels[d["label"]]

            datalist["training"] = datalist["training"] + list(val_labels.values())

            ConfigParser.export_config_file(datalist, datalist_filename, fmt="json", indent=4)
            num_fold = 1

        else:
            num_fold = 5

            warnings.warn(
                f"Datalist has no folds specified {datalist_filename}..."
                f"Generating {num_fold} folds randomly."
                f"Please consider presaving fold numbers beforehand for repeated experiments."
            )

            from sklearn.model_selection import KFold

            kf = KFold(n_splits=num_fold, shuffle=True, random_state=0)
            for i, (_, valid_idx) in enumerate(kf.split(datalist["training"])):
                for vi in valid_idx:
                    datalist["training"][vi]["fold"] = i

            ConfigParser.export_config_file(datalist, datalist_filename, fmt="json", indent=4)

        return num_fold

    def set_gpu_customization(
        self, gpu_customization: bool = False, gpu_customization_specs: dict[str, Any] | None = None
    ) -> AutoRunner:
        """
        Set options for GPU-based parameter customization/optimization.

        Args:
            gpu_customization: the switch to determine automatically customize/optimize bundle script/config
                parameters for each bundleAlgo based on gpus. Custom parameters are obtained through dummy
                training to simulate the actual model training process and hyperparameter optimization (HPO)
                experiments.
            gpu_customization_specs (optional): the dictionary to enable users overwrite the HPO settings. user can
                overwrite part of variables as follows or all of them. The structure is as follows.

                .. code-block:: python

                    gpu_customization_specs = {
                        'ALGO': {
                            'num_trials': 6,
                            'range_num_images_per_batch': [1, 20],
                            'range_num_sw_batch_size': [1, 20]
                        }
                    }

            ALGO: the name of algorithm. It could be one of algorithm names (e.g., 'dints') or 'universal' which
                would apply changes to all algorithms. Possible options are

                - {``"universal"``, ``"dints"``, ``"segresnet"``, ``"segresnet2d"``, ``"swinunetr"``}.

            num_trials: the number of HPO trials/experiments to run.
            range_num_images_per_batch: the range of number of images per mini-batch.
            range_num_sw_batch_size: the range of batch size in sliding-window inferer.
        """
        self.gpu_customization = gpu_customization
        if gpu_customization_specs is not None:
            self.gpu_customization_specs = gpu_customization_specs

        return self

    def set_num_fold(self, num_fold: int = 5) -> AutoRunner:
        """
        Set the number of cross validation folds for all algos.

        Args:
            num_fold: a positive integer to define the number of folds.
        """

        if num_fold <= 0:
            raise ValueError(f"num_fold is expected to be an integer greater than zero. Now it gets {num_fold}")
        if num_fold > self.max_fold + 1:
            # Auto3DSeg allows no validation set, so the maximum fold number is max_fold + 1
            raise ValueError(
                f"num_fold is greater than the maximum fold number {self.max_fold} in {self.datalist_filename}."
            )
        self.num_fold = num_fold

        return self

    def set_training_params(self, params: dict[str, Any] | None = None) -> AutoRunner:
        """
        Set the training params for all algos.

        Args:
            params: a dict that defines the overriding key-value pairs during training. The overriding method
                is defined by the algo class.

        Examples:
            For BundleAlgo objects, the training parameter to shorten the training time to a few epochs can be
                {"num_epochs": 2, "num_epochs_per_validation": 1}

        """
        self.train_params = deepcopy(params) if params is not None else {}
        if "CUDA_VISIBLE_DEVICES" in self.train_params:
            warnings.warn(
                "CUDA_VISIBLE_DEVICES is deprecated from 'set_training_params'. Use 'set_device_info' instead.",
                DeprecationWarning,
            )

        return self

    def set_device_info(
        self,
        cuda_visible_devices: list[int] | str | None = None,
        num_nodes: int | None = None,
        mn_start_method: str | None = None,
        cmd_prefix: str | None = None,
    ) -> AutoRunner:
        """
        Set the device related info

        Args:
            cuda_visible_devices: define GPU ids for data analyzer, training, and ensembling.
                List of GPU ids [0,1,2,3] or a string "0,1,2,3".
                Default using env "CUDA_VISIBLE_DEVICES" or all devices available.
            num_nodes: number of nodes for training and ensembling.
                Default using env "NUM_NODES" or 1 if "NUM_NODES" is unset.
            mn_start_method: multi-node start method. Autorunner will use the method to start multi-node processes.
                Default using env "MN_START_METHOD" or 'bcprun' if "MN_START_METHOD" is unset.
            cmd_prefix: command line prefix for subprocess running in BundleAlgo and EnsembleRunner.
                Default using env "CMD_PREFIX" or None, examples are:

                    - single GPU/CPU or multinode bcprun: "python " or "/opt/conda/bin/python3.8 ",
                    - single node multi-GPU running "torchrun --nnodes=1 --nproc_per_node=2 "

                If user define this prefix, please make sure --nproc_per_node matches cuda_visible_device or
                os.env['CUDA_VISIBLE_DEVICES']. Also always set --nnodes=1. Set num_nodes for multi-node.
        """
        self.device_setting: dict[str, Any] = {}
        if cuda_visible_devices is None:
            cuda_visible_devices = os.environ.get("CUDA_VISIBLE_DEVICES")
        if cuda_visible_devices is None:  # still None after reading the environ
            self.device_setting["CUDA_VISIBLE_DEVICES"] = ",".join([str(x) for x in range(torch.cuda.device_count())])
            self.device_setting["n_devices"] = torch.cuda.device_count()
        elif isinstance(cuda_visible_devices, str):
            self.device_setting["CUDA_VISIBLE_DEVICES"] = cuda_visible_devices
            self.device_setting["n_devices"] = len(cuda_visible_devices.split(","))
        elif isinstance(cuda_visible_devices, (list, tuple)):
            self.device_setting["CUDA_VISIBLE_DEVICES"] = ",".join([str(x) for x in cuda_visible_devices])
            self.device_setting["n_devices"] = len(cuda_visible_devices)
        else:
            logger.warn(f"Wrong format of cuda_visible_devices {cuda_visible_devices}, devices not set")

        if num_nodes is None:
            num_nodes = int(os.environ.get("NUM_NODES", 1))
        self.device_setting["NUM_NODES"] = num_nodes

        if mn_start_method is None:
            mn_start_method = os.environ.get("MN_START_METHOD", "bcprun")
        self.device_setting["MN_START_METHOD"] = mn_start_method

        if cmd_prefix is None:
            cmd_prefix = os.environ.get("CMD_PREFIX", "")
        self.device_setting["CMD_PREFIX"] = cmd_prefix

        if cmd_prefix is not None:
            logger.info(f"Using user defined command running prefix {cmd_prefix}, will override other settings")

        return self

    def set_ensemble_method(self, ensemble_method_name: str = "AlgoEnsembleBestByFold", **kwargs: Any) -> AutoRunner:
        """
        Set the bundle ensemble method name and parameters for save image transform parameters.

        Args:
            ensemble_method_name: the name of the ensemble method. Only two methods are supported "AlgoEnsembleBestN"
                and "AlgoEnsembleBestByFold".
            kwargs: the keyword arguments used to define the ensemble method. Currently only ``n_best`` for
                ``AlgoEnsembleBestN`` is supported.
        """
        self.ensemble_method_name = look_up_option(
            ensemble_method_name, supported=["AlgoEnsembleBestN", "AlgoEnsembleBestByFold"]
        )
        self.kwargs.update(kwargs)

        return self

    def set_image_save_transform(self, **kwargs: Any) -> AutoRunner:
        """
        Set the ensemble output transform.

        Args:
            kwargs: image writing parameters for the ensemble inference. The kwargs format follows SaveImage
                transform. For more information, check https://docs.monai.io/en/stable/transforms.html#saveimage.

        """

        are_all_args_present, extra_args = check_kwargs_exist_in_class_init(SaveImage, kwargs)
        if are_all_args_present:
            self.kwargs.update(kwargs)
        else:
            raise ValueError(
                f"{extra_args} are not supported in monai.transforms.SaveImage,"
                "Check https://docs.monai.io/en/stable/transforms.html#saveimage for more information."
            )

        return self

    def set_prediction_params(self, params: dict[str, Any] | None = None) -> AutoRunner:
        """
        Set the prediction params for all algos.

        Args:
            params: a dict that defines the overriding key-value pairs during prediction. The overriding method
                is defined by the algo class.

        Examples:

            For BundleAlgo objects, this set of param will specify the algo ensemble to only inference the first
                two files in the testing datalist {"file_slices": slice(0, 2)}

        """
        self.pred_params = deepcopy(params) if params is not None else {}

        return self

    def set_analyze_params(self, params: dict[str, Any] | None = None) -> AutoRunner:
        """
        Set the data analysis extra params.

        Args:
            params: a dict that defines the overriding key-value pairs during training. The overriding method
                is defined by the algo class.

        """
        if params is None:
            self.analyze_params = {"do_ccp": False, "device": "cuda"}
        else:
            self.analyze_params = deepcopy(params)

        return self

    def set_hpo_params(self, params: dict[str, Any] | None = None) -> AutoRunner:
        """
        Set parameters for the HPO module and the algos before the training. It will attempt to (1) override bundle
        templates with the key-value pairs in ``params`` (2) change the config of the HPO module (e.g. NNI) if the
        key is found to be one of:

            - "trialCodeDirectory"
            - "trialGpuNumber"
            - "trialConcurrency"
            - "maxTrialNumber"
            - "maxExperimentDuration"
            - "tuner"
            - "trainingService"

        and (3) enable the dry-run mode if the user would generate the NNI configs without starting the NNI service.

        Args:
            params: a dict that defines the overriding key-value pairs during instantiation of the algo. For
                BundleAlgo, it will override the template config filling.

        Notes:
            Users can set ``nni_dry_run`` to ``True`` in the ``params`` to enable the dry-run mode for the NNI backend.

        """
        self.hpo_params = self.train_params if params is None else params

        return self

    def set_nni_search_space(self, search_space: dict[str, Any]) -> AutoRunner:
        """
        Set the search space for NNI parameter search.

        Args:
            search_space: hyper parameter search space in the form of dict. For more information, please check
                NNI documentation: https://nni.readthedocs.io/en/v2.2/Tutorial/SearchSpaceSpec.html .
        """
        value_combinations = 1
        for k, v in search_space.items():
            if "_value" not in v:
                raise ValueError(f"{search_space} key {k} value {v} has not _value")
            value_combinations *= len(v["_value"])

        self.search_space = search_space
        self.hpo_tasks = value_combinations

        return self

    def _train_algo_in_sequence(self, history: list[dict[str, Any]]) -> None:
        """
        Train the Algos in a sequential scheme. The order of training is randomized.

        Args:
            history: the history of generated Algos. It is a list of dicts. Each element has the task name
                (e.g. "dints_0" for dints network in fold 0) as the key and the algo object as the value.
                After the training, the algo object with the ``best_metric`` will be saved as a pickle file.

        Note:
            The final results of the model training will be written to all the generated algorithm's output
            folders under the working directory. The results include the model checkpoints, a
            progress.yaml, accuracies in CSV and a pickle file of the Algo object.
        """
        for algo_dict in history:
            algo = algo_dict[AlgoKeys.ALGO]
            if has_option(algo.train, "device_setting"):
                algo.train(self.train_params, self.device_setting)
            else:
                algo.train(self.train_params)
            acc = algo.get_score()

            algo_meta_data = {str(AlgoKeys.SCORE): acc}
            algo_to_pickle(algo, template_path=algo.template_path, **algo_meta_data)

    def _train_algo_in_nni(self, history: list[dict[str, Any]]) -> None:
        """
        Train the Algos using HPO.

        Args:
            history: the history of generated Algos. It is a list of dicts. Each element has the task name
                (e.g. "dints_0" for dints network in fold 0) as the key and the algo object as the value.
                After the training, the algo object with the ``best_metric`` will be saved as a pickle file.

        Note:
            The final results of the model training will not be written to all the previously generated
            algorithm's output folders. Instead, HPO will generate a new algo during the searching, and
            the new algo will be saved under the working directory with a different format of the name.
            For example, if the searching space has "learning_rate", the result of HPO will be written to
            a folder name with original task name and the param (e.g. "dints_0_learning_rate_0.001").
            The results include the model checkpoints, a progress.yaml, accuracies in CSV and a pickle
            file of the Algo object.

        """
        default_nni_config = {
            "trialCodeDirectory": ".",
            "trialGpuNumber": torch.cuda.device_count(),
            "trialConcurrency": 1,
            "maxTrialNumber": 10,
            "maxExperimentDuration": "1h",
            "tuner": {"name": "GridSearch"},
            "trainingService": {"platform": "local", "useActiveGpu": True},
        }

        last_total_tasks = len(import_bundle_algo_history(self.work_dir, only_trained=True))
        mode_dry_run = self.hpo_params.pop("nni_dry_run", False)
        for algo_dict in history:
            name = algo_dict[AlgoKeys.ID]
            algo = algo_dict[AlgoKeys.ALGO]
            nni_gen = NNIGen(algo=algo, params=self.hpo_params)
            obj_filename = nni_gen.get_obj_filename()
            nni_config = deepcopy(default_nni_config)
            # override the default nni config with the same key in hpo_params
            for key in self.hpo_params:
                if key in nni_config:
                    nni_config[key] = self.hpo_params[key]
            nni_config.update({"experimentName": name})
            nni_config.update({"search_space": self.search_space})
            trial_cmd = "python -m monai.apps.auto3dseg NNIGen run_algo " + obj_filename + " " + self.work_dir
            nni_config.update({"trialCommand": trial_cmd})
            nni_config_filename = os.path.abspath(os.path.join(self.work_dir, f"{name}_nni_config.yaml"))
            ConfigParser.export_config_file(nni_config, nni_config_filename, fmt="yaml", default_flow_style=None)

            max_trial = min(self.hpo_tasks, cast(int, default_nni_config["maxTrialNumber"]))
            cmd = "nnictl create --config " + nni_config_filename + " --port 8088"

            if mode_dry_run:
                logger.info(f"AutoRunner HPO is in dry-run mode. Please manually launch: {cmd}")
                continue

            run_cmd(cmd.split(), check=True)

            n_trainings = len(import_bundle_algo_history(self.work_dir, only_trained=True))
            while n_trainings - last_total_tasks < max_trial:
                sleep(1)
                n_trainings = len(import_bundle_algo_history(self.work_dir, only_trained=True))

            cmd = "nnictl stop --all"
            run_cmd(cmd.split(), check=True)
            logger.info(f"NNI completes HPO on {name}")
            last_total_tasks = n_trainings

    def run(self):
        """
        Run the AutoRunner pipeline
        """
        # step 1: data analysis
        if self.analyze and self.analyze_params is not None:
            logger.info("Running data analysis...")
            da = DataAnalyzer(
                self.datalist_filename, self.dataroot, output_path=self.datastats_filename, **self.analyze_params
            )
            da.get_all_case_stats()

            da = None  # type: ignore
            torch.cuda.empty_cache()

            self.export_cache(analyze=True, datastats=self.datastats_filename)
        else:
            logger.info("Skipping data analysis...")

        # step 2: algorithm generation
        if self.algo_gen:
            if not os.path.isfile(self.datastats_filename):
                raise ValueError(
                    f"Could not find the datastats file {self.datastats_filename}. "
                    "Possibly the required data analysis step was not completed."
                )

            bundle_generator = BundleGen(
                algos=self.algos,
                algo_path=self.work_dir,
                templates_path_or_url=self.templates_path_or_url,
                data_stats_filename=self.datastats_filename,
                data_src_cfg_name=self.data_src_cfg_name,
                mlflow_tracking_uri=self.mlflow_tracking_uri,
                mlflow_experiment_name=self.mlflow_experiment_name,
            )

            if self.gpu_customization:
                bundle_generator.generate(
                    self.work_dir,
                    num_fold=self.num_fold,
                    gpu_customization=self.gpu_customization,
                    gpu_customization_specs=self.gpu_customization_specs,
                    allow_skip=self.allow_skip,
                )
            else:
                bundle_generator.generate(self.work_dir, num_fold=self.num_fold, allow_skip=self.allow_skip)
            history = bundle_generator.get_history()
            export_bundle_algo_history(history)
            self.export_cache(algo_gen=True)
        else:
            logger.info("Skipping algorithm generation...")

        # step 3: algo training
        auto_train_choice = self.train is None
        if self.train or (auto_train_choice and not self.cache["train"]):
            history = import_bundle_algo_history(self.work_dir, only_trained=False)

            if len(history) == 0:
                raise ValueError(
                    f"Could not find training scripts in {self.work_dir}. "
                    "Possibly the required algorithms generation step was not completed."
                )

            if auto_train_choice:
                skip_algos = [h[AlgoKeys.ID] for h in history if h[AlgoKeys.IS_TRAINED]]
                if skip_algos:
                    logger.info(
                        f"Skipping already trained algos {skip_algos}."
                        "Set option train=True to always retrain all algos."
                    )
                    history = [h for h in history if not h[AlgoKeys.IS_TRAINED]]

            if len(history) > 0:
                if not self.hpo:
                    self._train_algo_in_sequence(history)
                else:
                    self._train_algo_in_nni(history)

            self.export_cache(train=True)
        else:
            logger.info("Skipping algorithm training...")

        # step 4: model ensemble and write the prediction to disks.
        if self.ensemble:
            ensemble_runner = EnsembleRunner(
                data_src_cfg_name=self.data_src_cfg_name,
                work_dir=self.work_dir,
                num_fold=self.num_fold,
                ensemble_method_name=self.ensemble_method_name,
                mgpu=int(self.device_setting["n_devices"]) > 1,
                **self.kwargs,  # for set_image_save_transform
                **self.pred_params,
            )  # for inference
            ensemble_runner.run(self.device_setting)
        logger.info("Auto3Dseg pipeline is completed successfully.")