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Title: Out-of-Distribution Detection Using Layerwise Uncertainty in Deep Neural Networks

Paper content:
In this paper, we tackle the problem of detecting samples that are not drawn from the training distribution, i.e., out-of-distribution (OOD) samples, in classification.
Many previous studies have attempted to solve this problem by regarding samples with low classification confidence as OOD examples using deep neural networks (DNNs).
However, on difficult datasets or models with low classification ability, these methods incorrectly regard in-distribution samples close to the decision boundary as OOD samples.
This problem arises because their approaches use only the features close to the output layer and disregard the uncertainty of the features.
Therefore, we propose a method that extracts the uncertainties of features in each layer of DNNs using a reparameterization trick and combines them.
In experiments, our method outperforms the existing methods by a large margin, achieving state-of-the-art detection performance on several datasets and classification models.
For example, our method increases the AUROC score of prior work (83.8%) to 99.8% in DenseNet on the CIFAR-100 and Tiny-ImageNet datasets.
Deep neural networks (DNNs) have achieved high performance in many classification tasks such as image classification (Krizhevsky et al., 2012; Simonyan & Zisserman, 2014) , object detection (Lin et al., 2017; Redmon & Farhadi, 2018) , and speech recognition Hannun et al., 2014) .
However, DNNs tend to make high confidence predictions even for samples that are not drawn from the training distribution, i.e., out-of-distribution (OOD) samples (Hendrycks & Gimpel, 2016) .
Such errors can be harmful to medical diagnosis and automated driving.
Because it is not generally possible to control the test data distribution in real-world applications, OOD samples are inevitably included in this distribution.
Therefore, detecting OOD samples is important for ensuring the safety of an artificial intelligence system (Amodei et al., 2016) .
There have been many previous studies (Hendrycks & Gimpel, 2016; Liang et al., 2017; Lee et al., 2017; DeVries & Taylor, 2018; Lee et al., 2018; Hendrycks et al., 2018) that have attempted to solve this problem by regarding samples that are difficult to classify or samples with low classification confidence as OOD examples using DNNs.
Their approaches work well and they are computationally efficient.
The limitation of these studies is that, when using difficult datasets or models with low classification ability, the confidence of inputs will be low, even if the inputs are in-distribution samples.
Therefore, these methods incorrectly regard such in-distribution samples as OOD samples, which results in their poor detection performance (Malinin & Gales, 2018) , as shown in Figure 1 .
One cause of the abovementioned problem is that their approaches use only the features close to the output layer and the features are strongly related to the classification accuracy.
Therefore, we use not only the features close to the output layer but also the features close to the input layer.
We hypothesize that the uncertainties of the features close to the input layer are the uncertainties of the feature extraction and are effective for detecting OOD samples.
For example, when using convolutional neural networks (CNNs), the filters of the convolutional layer close to the input layer extract features such as edges that are useful for in-distribution classification.
In other words, indistribution samples possess more features that convolutional filters react to than OOD samples.
Therefore, the uncertainties of the features will be larger when the inputs are in-distribution samples.
Another cause of the abovementioned problem is that their approaches disregard the uncertainty of the features close to the output layer.
We hypothesize that the uncertainties of the latent features close Baseline (Hendrycks & Gimpel, 2016) UFEL (ours) max softmax probability Baseline UFEL (ours) degree of uncertainty Figure 1 : Comparison of existing and proposed methods.
We visualized scatter plots of the outputs of the penultimate layer of a CNN that can estimate the uncertainties of latent features using the SVHN dataset (Netzer et al., 2011) .
We used only classes 0, 1, and 2 for the training data.
Classes 0, 1, 2, and OOD, indicated by red, yellow, blue, and black, respectively, were used for the validation data.
We plot the contour of the maximum output of the softmax layer of the model.
Left: Because the image of "204" includes the digits "2" and "0," the maximum value of the softmax output decreases because the model does not know to which class the image belongs.
Right: The sizes of points in the scatter plots indicate the value of the combined uncertainties of features.
We can classify the image of "204" as an in-distribution image according to the value of the combined uncertainties.
to the output layer are the uncertainties of classification and are also effective for detecting OOD samples.
For example, in-distribution samples are embedded in the feature space close to the output layer to classify samples.
In contrast, OOD samples have no fixed regions for embedding.
Therefore, the uncertainties of the features of OOD samples will be larger than those of in-distribution samples.
Based on the hypotheses, we propose a method that extracts the Uncertainties of Features in Each Layer (UFEL) and combines them for detecting OOD samples.
Each uncertainty is easily estimated after training the discriminative model by computing the mean and the variance of their features using a reparameterization trick such as the variational autoencoder (Kingma & Welling, 2013) and variational information bottleneck (Alemi et al., 2016; .
Our proposal is agnostic to the model architecture and can be easily combined with any regular architecture with minimum modifications.
We visualize the maximum values of output probability and the combined uncertainties of the latent features in the feature space of the penultimate layer in Figure 1 .
The combined uncertainties of the features discriminate the in-distribution and OOD images that are difficult to classify.
For example, although the images that are surrounded by the red line are in-distribution samples, they have low maximum softmax probabilities and could be regarded as OOD samples in prior work.
Meanwhile, their uncertainties are smaller than those of OOD samples and they are regarded as in-distribution samples in our method.
In experiments, we validate the hypothesis demonstrating that each uncertainty is effective for detecting OOD examples.
We also demonstrate that UFEL can obtain state-of-the-art performance in several datasets including CIFAR-100, which is difficult to classify, and models including LeNet5 with low classification ability.
Moreover, UFEL is robust to hyperparameters such as the number of in-distribution classes and the validation dataset.

assistant: text: We propose a method that extracts the uncertainties of features in each layer of DNNs and combines them for detecting OOD samples when solving classification tasks.