{"action":"created","comment":{"url":"https://api.github.com/repos/pfnet-research/chainer-chemistry/pulls/comments/170153741","pull_request_review_id":98798284,"id":170153741,"diff_hunk":"@@ -0,0 +1,128 @@\n+import numpy\n+\n+import chainer\n+from chainer import cuda\n+from chainer import reporter\n+from chainer.dataset import convert\n+from chainer.training.extensions import Evaluator\n+from sklearn import metrics\n+\n+\n+def _get_1d_numpy_array(v):\n+    \"\"\"Convert array or Variable to 1d numpy array\n+    \n+    Args:\n+        v (numpy.ndarray or cupy.ndarray or chainer.Variable): array to be\n+            converted to 1d numpy array \n+\n+    Returns (numpy.ndarray): Raveled 1d numpy array\n+\n+    \"\"\"\n+    if isinstance(v, chainer.Variable):\n+        v = v.data\n+    return cuda.to_cpu(v).ravel()\n+\n+\n+def _to_list(a):\n+    \"\"\"convert value `a` to list\n+    \n+    Args:\n+        a: value to be convert to `list`\n+\n+    Returns (list):\n+\n+    \"\"\"\n+    if isinstance(a, (int, float)):\n+        return [a, ]\n+    else:\n+        # expected to be list or some iterable class\n+        return a\n+\n+\n+class ROCAUCEvaluator(Evaluator):\n+\n+    \"\"\"Evaluator which calculates ROC AUC score\n+\n+    Args:\n+        iterator: Dataset iterator for the dataset to calculate ROC AUC score.\n+            It can also be a dictionary of iterators. If this is just an \n+            iterator, the iterator is registered by the name ``'main'``.\n+        target: Link object or a dictionary of links to evaluate. If this is\n+            just a link object, the link is registered by the name ``'main'``.\n+        converter: Converter function to build input arrays.\n+            :func:`~chainer.dataset.concat_examples` is used by default.\n+        device: Device to which the training data is sent. Negative value\n+            indicates the host memory (CPU).\n+        eval_hook: Function to prepare for each evaluation process. It is\n+            called at the beginning of the evaluation. The evaluator extension\n+            object is passed at each call.\n+        eval_func: Evaluation function called at each iteration. The target\n+            link to evaluate as a callable is used by default.\n+        name (str): name of this extension. When `name` is None, \n+            `default_name='validation'` which is defined in super class \n+            `Evaluator` is used as extension name. This name affects to the\n+            reported key name.\n+        pos_labels (int or list): labels of the positive class, other classes\n+            are considered as negative.\n+        ignore_labels (int or list or None): labels to be ignored.\n+            `None` is used to not ignore all labels.\n+\n+    Attributes:\n+        converter: Converter function.\n+        device: Device to which the training data is sent.\n+        eval_hook: Function to prepare for each evaluation process.\n+        eval_func: Evaluation function called at each iteration.\n+        pos_labels (list): labels of the positive class\n+        ignore_labels (list): labels to be ignored.\n+\n+    \"\"\"\n+\n+    def __init__(self, iterator, target, predictor=None,\n+                 converter=convert.concat_examples,\n+                 device=None, eval_hook=None, eval_func=None, name=None,\n+                 pos_labels=1, ignore_labels=-1):","path":"chainer_chemistry/training/extensions/roc_auc_evaluator.py","position":83,"original_position":83,"commit_id":"1e7f2cf31f4d733208b2586662f524e8746de803","original_commit_id":"1e7f2cf31f4d733208b2586662f524e8746de803","user":{"login":"corochann","id":4609798,"avatar_url":"https://avatars2.githubusercontent.com/u/4609798?v=4","gravatar_id":"","url":"https://api.github.com/users/corochann","html_url":"https://github.com/corochann","followers_url":"https://api.github.com/users/corochann/followers","following_url":"https://api.github.com/users/corochann/following{/other_user}","gists_url":"https://api.github.com/users/corochann/gists{/gist_id}","starred_url":"https://api.github.com/users/corochann/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/corochann/subscriptions","organizations_url":"https://api.github.com/users/corochann/orgs","repos_url":"https://api.github.com/users/corochann/repos","events_url":"https://api.github.com/users/corochann/events{/privacy}","received_events_url":"https://api.github.com/users/corochann/received_events","type":"User","site_admin":false},"body":"ok","created_at":"2018-02-23T02:43:21Z","updated_at":"2018-02-23T02:43:21Z","html_url":"https://github.com/pfnet-research/chainer-chemistry/pull/62#discussion_r170153741","pull_request_url":"https://api.github.com/repos/pfnet-research/chainer-chemistry/pulls/62","author_association":"CONTRIBUTOR","_links":{"self":{"href":"https://api.github.com/repos/pfnet-research/chainer-chemistry/pulls/comments/170153741"},"html":{"href":"https://github.com/pfnet-research/chainer-chemistry/pull/62#discussion_r170153741"},"pull_request":{"href":"https://api.github.com/repos/pfnet-research/chainer-chemistry/pulls/62"}},"in_reply_to_id":170112320},"pull_request":{"url":"https://api.github.com/repos/pfnet-research/chainer-chemistry/pulls/62","id":159641139,"html_url":"https://github.com/pfnet-research/chainer-chemistry/pull/62","diff_url":"https://github.com/pfnet-research/chainer-chemistry/pull/62.diff","patch_url":"https://github.com/pfnet-research/chainer-chemistry/pull/62.patch","issue_url":"https://api.github.com/repos/pfnet-research/chainer-chemistry/issues/62","number":62,"state":"open","locked":false,"title":"Report roc auc","user":{"login":"corochann","id":4609798,"avatar_url":"https://avatars2.githubusercontent.com/u/4609798?v=4","gravatar_id":"","url":"https://api.github.com/users/corochann","html_url":"https://github.com/corochann","followers_url":"https://api.github.com/users/corochann/followers","following_url":"https://api.github.com/users/corochann/following{/other_user}","gists_url":"https://api.github.com/users/corochann/gists{/gist_id}","starred_url":"https://api.github.com/users/corochann/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/corochann/subscriptions","organizations_url":"https://api.github.com/users/corochann/orgs","repos_url":"https://api.github.com/users/corochann/repos","events_url":"https://api.github.com/users/corochann/events{/privacy}","received_events_url":"https://api.github.com/users/corochann/received_events","type":"User","site_admin":false},"body":"Please merge this after\r\nhttps://github.com/pfnet-research/chainer-chemistry/pull/60\r\n\r\nI think it is better to show ROC-AUC score instead of binary accuracy in tox21 example.\r\nThis PR adds roc-auc report.\r\n\r\nHowever, ROC AUC score is calculated per minibatch, so its value is not accurate... Is it ok to calculate just a \"approximate\" value of roc auc score during training?\r\nI'd like to get other person's opinion.","created_at":"2017-12-21T12:01:15Z","updated_at":"2018-02-23T02:43:21Z","closed_at":null,"merged_at":null,"merge_commit_sha":"8d2ce12a1f6e2f902f0034549b38c243792c98c3","assignee":{"login":"mottodora","id":7134790,"avatar_url":"https://avatars3.githubusercontent.com/u/7134790?v=4","gravatar_id":"","url":"https://api.github.com/users/mottodora","html_url":"https://github.com/mottodora","followers_url":"https://api.github.com/users/mottodora/followers","following_url":"https://api.github.com/users/mottodora/following{/other_user}","gists_url":"https://api.github.com/users/mottodora/gists{/gist_id}","starred_url":"https://api.github.com/users/mottodora/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/mottodora/subscriptions","organizations_url":"https://api.github.com/users/mottodora/orgs","repos_url":"https://api.github.com/users/mottodora/repos","events_url":"https://api.github.com/users/mottodora/events{/privacy}","received_events_url":"https://api.github.com/users/mottodora/received_events","type":"User","site_admin":false},"assignees":[{"login":"mottodora","id":7134790,"avatar_url":"https://avatars3.githubusercontent.com/u/7134790?v=4","gravatar_id":"","url":"https://api.github.com/users/mottodora","html_url":"https://github.com/mottodora","followers_url":"https://api.github.com/users/mottodora/followers","following_url":"https://api.github.com/users/mottodora/following{/other_user}","gists_url":"https://api.github.com/users/mottodora/gists{/gist_id}","starred_url":"https://api.github.com/users/mottodora/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/mottodora/subscriptions","organizations_url":"https://api.github.com/users/mottodora/orgs","repos_url":"https://api.github.com/users/mottodora/repos","events_url":"https://api.github.com/users/mottodora/events{/privacy}","received_events_url":"https://api.github.com/users/mottodora/received_events","type":"User","site_admin":false}],"requested_reviewers":[],"requested_teams":[],"labels":[],"milestone":{"url":"https://api.github.com/repos/pfnet-research/chainer-chemistry/milestones/1","html_url":"https://github.com/pfnet-research/chainer-chemistry/milestone/1","labels_url":"https://api.github.com/repos/pfnet-research/chainer-chemistry/milestones/1/labels","id":2997431,"number":1,"title":"0.2.0","description":"","creator":{"login":"mottodora","id":7134790,"avatar_url":"https://avatars3.githubusercontent.com/u/7134790?v=4","gravatar_id":"","url":"https://api.github.com/users/mottodora","html_url":"https://github.com/mottodora","followers_url":"https://api.github.com/users/mottodora/followers","following_url":"https://api.github.com/users/mottodora/following{/other_user}","gists_url":"https://api.github.com/users/mottodora/gists{/gist_id}","starred_url":"https://api.github.com/users/mottodora/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/mottodora/subscriptions","organizations_url":"https://api.github.com/users/mottodora/orgs","repos_url":"https://api.github.com/users/mottodora/repos","events_url":"https://api.github.com/users/mottodora/events{/privacy}","received_events_url":"https://api.github.com/users/mottodora/received_events","type":"User","site_admin":false},"open_issues":3,"closed_issues":18,"state":"open","created_at":"2017-12-26T02:15:08Z","updated_at":"2018-02-22T16:40:23Z","due_on":null,"closed_at":null},"commits_url":"https://api.github.com/repos/pfnet-research/chainer-chemistry/pulls/62/commits","review_comments_url":"https://api.github.com/repos/pfnet-research/chainer-chemistry/pulls/62/comments","review_comment_url":"https://api.github.com/repos/pfnet-research/chainer-chemistry/pulls/comments{/number}","comments_url":"https://api.github.com/repos/pfnet-research/chainer-chemistry/issues/62/comments","statuses_url":"https://api.github.com/repos/pfnet-research/chainer-chemistry/statuses/1e7f2cf31f4d733208b2586662f524e8746de803","head":{"label":"corochann:report_roc_auc","ref":"report_roc_auc","sha":"1e7f2cf31f4d733208b2586662f524e8746de803","user":{"login":"corochann","id":4609798,"avatar_url":"https://avatars2.githubusercontent.com/u/4609798?v=4","gravatar_id":"","url":"https://api.github.com/users/corochann","html_url":"https://github.com/corochann","followers_url":"https://api.github.com/users/corochann/followers","following_url":"https://api.github.com/users/corochann/following{/other_user}","gists_url":"https://api.github.com/users/corochann/gists{/gist_id}","starred_url":"https://api.github.com/users/corochann/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/corochann/subscriptions","organizations_url":"https://api.github.com/users/corochann/orgs","repos_url":"https://api.github.com/users/corochann/repos","events_url":"https://api.github.com/users/corochann/events{/privacy}","received_events_url":"https://api.github.com/users/corochann/received_events","type":"User","site_admin":false},"repo":{"id":112725110,"name":"chainer-chemistr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