Why is roc_curve return an additional value for the thresholds (2.0) for some classes?

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I am using python 3.5.2 and sklearn 0.19.1

I have a muticlass problem (3 classes) and I am using RandomForestClassifier. For one of the cass I have 19 unique predict_proba values :

{0.0,
0.6666666666666666,
0.6736189855024448,
0.6773290780865037,
0.7150826826468751,
0.7175236925236925,
0.7775446850962057,
0.8245648135911781,
0.8631035080004867,
0.8720525244880196,
0.8739595855873906,
0.8787152225755167,
0.9289844333343654,
0.954439314892936,
0.9606503912532541,
0.9771342285323964,
0.9883370916703461,
0.9957401423931763,
1.0}

I am computing roc_curve and I am expecting the same number of point for the roc curve as I have unique value of probablitity. This is only true for 2 of the 3 classes!

When I looked at the thresholds returned that the roc_curve function:

fpr, tpr, proba = roc_curve(....):

I see the same exact value as the one in the list of probability + one new value 2.0 !

[2.,
1.,
0.99574014,
0.98833709,
0.97713423,
0.96065039,
0.95443931,
0.92898443,
0.87871522,
0.87395959,
0.87205252,
0.86310351,
0.82456481,
0.77754469,
0.71752369,
0.71508268,
0.67732908,
0.67361899,
0.66666667,
0. ]

Why is a new thresholds 2.0 is returned ? I didn't see anything related to that in the documentation.

Any idea ? I am missing something

1 Answers

roc_curve is written so that ROC point corresponding to the highest threshold (fpr[0], tpr[0]) is always (0, 0). If this is not the case, a new threshold is created with an arbitrary value of max(y_score)+1. The relevant code from the source:

thresholds : array, shape = [n_thresholds]
    Decreasing thresholds on the decision function used to compute
    fpr and tpr. `thresholds[0]` represents no instances being predicted
    and is arbitrarily set to `max(y_score) + 1`.

and

if tps.size == 0 or fps[0] != 0:
    # Add an extra threshold position if necessary
    tps = np.r_[0, tps]
    fps = np.r_[0, fps]
    thresholds = np.r_[thresholds[0] + 1, thresholds]

So it seems in the case you showed you have data given a score of 1.0 that is incorrectly classified.

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