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+# DEEP SEMI-SUPERVISED ANOMALY DETECTION
+
+Lukas Ruff1 Robert A. Vandermeulen1∗ Nico Görnitz 1 2
+Alexander Binder3 Emmanuel Müller4
+Klaus-Robert Müller1 5 6 Marius Kloft7†
+1Technical University of Berlin, Germany
+2123ai.de, Berlin, Germany
+3Singapore University of Technology & Design, Singapore
+4Bonn-Aachen International Center for Information Technology, Germany
+5Korea University, Seoul, Republic of Korea
+6Max Planck Institute for Informatics, Saarbrücken, Germany
+7Technical University of Kaiserslautern, Germany
+{lukas.ruff, vandermeulen, nico.goernitz}@tu-berlin.de
+alexander_binder@sutd.edu.sg mueller@bit.uni-bonn.de
+klaus-robert.mueller@tu-berlin.de kloft@cs.uni-kl.de
+
+# ABSTRACT
+
+Deep approaches to anomaly detection have recently shown promising results over shallow methods on large and complex datasets. Typically anomaly detection is treated as an unsupervised learning problem. In practice however, one may have— in addition to a large set of unlabeled samples—access to a small pool of labeled samples, e.g. a subset verified by some domain expert as being normal or anomalous. Semi-supervised approaches to anomaly detection aim to utilize such labeled samples, but most proposed methods are limited to merely including labeled normal samples. Only a few methods take advantage of labeled anomalies, with existing deep approaches being domain-specific. In this work we present Deep SAD, an end-to-end deep methodology for general semi-supervised anomaly detection. We further introduce an information-theoretic framework for deep anomaly detection based on the idea that the entropy of the latent distribution for normal data should be lower than the entropy of the anomalous distribution, which can serve as a theoretical interpretation for our method. In extensive experiments on MNIST, Fashion-MNIST, and CIFAR-10, along with other anomaly detection benchmark datasets, we demonstrate that our method is on par or outperforms shallow, hybrid, and deep competitors, yielding appreciable performance improvements even when provided with only little labeled data.
+
+# 1 INTRODUCTION
+
+Anomaly detection (AD) (Chandola et al., 2009; Pimentel et al., 2014) is the task of identifying unusual samples in data. Typically AD methods attempt to learn a “compact” description of the data in an unsupervised manner assuming that most of the samples are normal (i.e., not anomalous). For example, in one-class classification (Moya et al., 1993; Schölkopf et al., 2001) the objective is to find a set of small measure which contains most of the data and samples not contained in that set are deemed anomalous. Shallow unsupervised AD methods such as the One-Class SVM (Schölkopf et al., 2001; Tax & Duin, 2004), Kernel Density Estimation (Parzen, 1962; Kim & Scott, 2012; Vandermeulen & Scott, 2013), or Isolation Forest (Liu et al., 2008) often require manual feature engineering to be effective on high-dimensional data and are limited in their scalability to large datasets. These limitations have sparked great interest in developing novel deep approaches to unsupervised AD (Erfani et al., 2016; Zhai et al., 2016; Chen et al., 2017; Ruff et al., 2018; Deecke et al., 2018; Ruff et al., 2019; Golan & El-Yaniv, 2018; Pang et al., 2019; Hendrycks et al., 2019a;b).
+
+
+Figure 1: The need for semi-supervised anomaly detection: The training data (shown in (a)) consists of (mostly normal) unlabeled data (gray) as well as a few labeled normal samples (blue) and labeled anomalies (orange). Figures (b)–(f) show the decision boundaries of the various learning paradigms at testing time along with novel anomalies that occur (bottom left in each plot). Our semi-supervised AD approach takes advantage of all training data: unlabeled samples, labeled normal samples, as well as labeled anomalies. This strikes a balance between one-class learning and classification.
+
+Unlike the standard unsupervised AD setting, in many real-world applications one may also have access to some verified (i.e., labeled) normal or anomalous samples in addition to the unlabeled data. Such samples could be hand labeled by a domain expert for instance. This leads to a semi-supervised AD problem: given $n$ (mostly normal but possibly containing some anomalous contamination) unlabeled samples $\pmb { x } _ { 1 } , \ldots , \pmb { x } _ { n }$ and $m$ labeled samples $( \tilde { \pmb { x } } _ { 1 } , \tilde { y } _ { 1 } ) , \dots , ( \tilde { \pmb { x } } _ { m } , \tilde { y } _ { m } )$ , where $\tilde { y } = + 1$ and $\tilde { y } = - 1$ denote normal and anomalous samples respectively, the task is to learn a model that compactly characterizes the “normal class.”
+
+The term semi-supervised anomaly detection has been used to describe two different AD settings. Most existing “semi-supervised” AD methods, both shallow (Muñoz-Marí et al., 2010; Blanchard et al., 2010; Chandola et al., 2009) and deep (Song et al., 2017; Akcay et al., 2018; Chalapathy & Chawla, 2019), only incorporate the use of labeled normal samples but not labeled anomalies, i.e. they are more precisely instances of Learning from Positive (i.e., normal) and Unlabeled Examples (LPUE) (Denis, 1998; Zhang & Zuo, 2008). A few works (Wang et al., 2005; Liu & Zheng, 2006; Görnitz et al., 2013) have investigated the general semi-supervised AD setting where one also utilizes labeled anomalies, however existing deep approaches are domain or data-type specific (Ergen et al., 2017; Kiran et al., 2018; Min et al., 2018).
+
+Research on deep semi-supervised learning has almost exclusively focused on classification as the downstream task (Kingma et al., 2014; Rasmus et al., 2015; Odena, 2016; Dai et al., 2017; Oliver et al., 2018). Such semi-supervised classifiers typically assume that similar points are likely to be of the same class, this is known as the cluster assumption (Zhu, 2005; Chapelle et al., 2009). This assumption, however, only holds for the “normal class” in AD, but is crucially invalid for the “anomaly class” since anomalies are not necessarily similar to one another. Instead, semi-supervised AD approaches must find a compact description of the normal class while also correctly discriminating the labeled anomalies (Görnitz et al., 2013). Figure 1 illustrates the differences between various learning paradigms applied to AD on a toy example.
+
+We introduce Deep SAD (Deep Semi-supervised Anomaly Detection) in this work, an end-to-end deep method for general semi-supervised AD. Our main contributions are the following:
+
+• We introduce Deep SAD, a generalization of the unsupervised Deep SVDD method (Ruff et al., 2018) to the semi-supervised AD setting.
+• We present an information-theoretic framework for deep AD, which can serve as an interpretation of our Deep SAD method and similar approaches.
+• We conduct extensive experiments in which we establish experimental scenarios for the general semi-supervised AD problem where we also introduce novel baselines.
+
+# 2 AN INFORMATION-THEORETIC VIEW ON DEEP ANOMALY DETECTION
+
+The study of the theoretical foundations of deep learning is an active and ongoing research effort (Montavon et al., 2011; Tishby & Zaslavsky, 2015; Cohen et al., 2016; Eldan & Shamir, 2016; Neyshabur et al., 2017; Raghu et al., 2017; Zhang et al., 2017; Achille & Soatto, 2018; Arora et al., 2018; Belkin et al., 2018; Wiatowski & Bölcskei, 2018; Lapuschkin et al., 2019). One important line of research that has emerged is rooted in information theory (Shannon, 1948). In the supervised classification setting where one has input variable $X$ , latent variable $Z$ (e.g., the final layer of a deep network), and output variable $Y$ (i.e., the label), the well-known Information Bottleneck principle (Tishby et al., 1999; Tishby & Zaslavsky, 2015; Shwartz-Ziv & Tishby, 2017; Alemi et al., 2017; Saxe et al., 2018) provides an explanation for representation learning as the trade-off between finding a minimal compression $Z$ of the input $X$ while retaining the informativeness of $Z$ for predicting the label $Y$ . Put formally, supervised deep learning seeks to minimize the mutual information $\mathcal { T } ( X ; Z )$ between the input $X$ and the latent representation $Z$ while maximizing the mutual information $\mathcal { T } ( Z ; Y )$ between $Z$ and the classification task $Y$ , i.e.
+
+$$
+\begin{array} { r l } { \underset { p ( z | x ) } { \operatorname* { m i n } } } & { { } \mathcal { T } ( X ; Z ) - \alpha \mathcal { T } ( Z ; Y ) , } \end{array}
+$$
+
+where $p ( z | x )$ is modeled by a deep network and the hyperparameter $\alpha > 0$ controls the trade-off between compression (i.e., complexity) and classification accuracy.
+
+For unsupervised deep learning, due to the absence of labels $Y$ and thus the lack of a clear task, other information-theoretic learning principles have been formulated. Of these, the Infomax principle (Linsker, 1988; Bell & Sejnowski, 1995; Hjelm et al., 2019) is one of the most prevalent and widely used principles. In contrast to (1), the objective of Infomax is to maximize the mutual information $\mathcal { T } ( X ; Z )$ between the data $X$ and its latent representation $Z$ :
+
+$$
+\begin{array} { r l } { \underset { p ( z | x ) } { \operatorname* { m a x } } } & { { } \mathcal { T } ( X ; Z ) + \beta \mathcal { R } ( Z ) . } \end{array}
+$$
+
+This is typically done under some additional constraint or regularization $\mathcal { R } ( Z )$ on the representation $Z$ with hyperparameter $\beta > 0$ to obtain statistical properties desired for some specific downstream task. Examples where the Infomax principle has been applied include tasks such as independent component analysis (Bell & Sejnowski, 1995), clustering (Slonim et al., 2005; Ji et al., 2018), generative modeling (Chen et al., 2016; Hoffman $\&$ Johnson, 2016; Zhao et al., 2017; Alemi et al., 2018), and unsupervised representation learning in general (Hjelm et al., 2019).
+
+We observe that the Infomax principle has also been applied in previous deep representations for AD. Most notably autoencoders (Rumelhart et al., 1986; Hinton & Salakhutdinov, 2006), which are the predominant approach to deep AD (Hawkins et al., 2002; Sakurada & Yairi, 2014; Andrews et al., 2016; Erfani et al., 2016; Zhai et al., 2016; Chen et al., 2017; Chalapathy & Chawla, 2019), can be understood as implicitly maximizing the mutual information $\mathcal { T } ( X ; Z )$ via the reconstruction objective (Vincent et al., 2008) under some regularization of the latent code $Z$ . Choices for regularization include sparsity (Makhzani & Frey, 2014), the distance to some latent prior distribution, e.g. measured via the KL divergence (Kingma & Welling, 2013; Rezende et al., 2014), an adversarial loss (Makhzani et al., 2015), or simply a bottleneck in dimensionality. Such restrictions for AD share the idea that the latent representation of the normal data should be in some sense “compact.”
+
+As illustrated in Figure 1, a supervised (or semi-supervised) classification approach to AD only learns to recognize anomalies similar to those seen during training, due to the class cluster assumption (Chapelle et al., 2009). However, anything not normal is by definition an anomaly and thus anomalies do not have to be similar. This makes supervised (or semi-supervised) classification learning principles such as (1) ill-defined for AD. We instead build upon principle (2) to motivate a deep method for general semi-supervised AD, where we include the label information $Y$ through a novel representation learning regularization objective $\mathcal { R } ( Z ) = \mathcal { R } ( Z ; Y )$ that is based on entropy.
+
+# 3 DEEP SEMI-SUPERVISED ANOMALY DETECTION
+
+In the following, we introduce Deep $S A D$ , a deep method for general semi-supervised AD. To formulate our objective, we first briefly explain the unsupervised Deep SVDD method (Ruff et al., 2018) which we then generalize to the semi-supervised AD setting.
+
+# 3.1 UNSUPERVISED DEEP SVDD AND ENTROPY MINIMIZATION
+
+For input space $\boldsymbol { \mathcal { X } } \subseteq \mathbb { R } ^ { D }$ and output space $\mathcal { Z } \subseteq \mathbb { R } ^ { d }$ , let $\phi ( \cdot ; \mathcal { W } ) : \mathcal { X } \to \mathcal { Z }$ be a neural network with $L$ hidden layers and corresponding set of weights ${ \mathcal { W } } = \{ W ^ { 1 } , \ldots , W ^ { L } \}$ . The objective of Deep SVDD is to train the neural network $\phi$ to learn a transformation that minimizes the volume of a data-enclosing hypersphere in output space $\mathcal { Z }$ centered on a predetermined point $^ c$ . Given $n$ (unlabeled) training samples $\pmb { x } _ { 1 } , \dots , \pmb { x } _ { n } \in \pmb { \chi } ^ { }$ , the One-Class Deep SVDD objective is
+
+$$
+\operatorname* { m i n } _ { \mathcal { W } } \quad \frac { 1 } { n } \sum _ { i = 1 } ^ { n } \| \phi ( \pmb { x } _ { i } ; \mathcal { W } ) - \pmb { c } \| ^ { 2 } + \frac { \lambda } { 2 } \sum _ { \ell = 1 } ^ { L } \| \pmb { W } ^ { \ell } \| _ { F } ^ { 2 } , \quad \lambda > 0 .
+$$
+
+Penalizing the mean squared distance of the mapped samples to the hypersphere center $^ c$ forces the network to extract those common factors of variation which are most stable within the dataset. As a consequence normal data points tend to get mapped near the hypersphere center, whereas anomalies are mapped further away (Ruff et al., 2018). The second term is a standard weight decay regularizer.
+
+Deep SVDD is optimized via SGD using backpropagation. For initialization, Ruff et al. (2018) first pre-train an autoencoder and then initialize the weights $\mathcal { W }$ of the network $\phi$ with the converged weights of the encoder. After initialization, the hypersphere center $^ c$ is set as the mean of the network outputs obtained from an initial forward pass of the data. Once the network is trained, the anomaly score for a test point $_ { \textbf { \em x } }$ is given by the distance from $\phi ( { \pmb x } ; \mathcal { W } )$ to the center of the hypersphere:
+
+$$
+s ( \pmb { x } ) = \| \phi ( \pmb { x } ; \mathcal { W } ) - \pmb { c } \| .
+$$
+
+We now argue that Deep SVDD may not only be interpreted in geometric terms as minimum volume estimation (Scott & Nowak, 2006), but also in probabilistic terms as entropy minimization over the latent distribution. For a latent random variable $Z$ with covariance $\Sigma$ , pdf $p ( z )$ , and support $\mathcal { Z } \subseteq \mathbb { R } ^ { d }$ , we have the following bound on entropy
+
+$$
+\mathcal { H } ( Z ) = \mathbb { E } [ - \log p ( Z ) ] = - \int _ { \mathcal { Z } } p ( z ) \log p ( z ) { \mathrm { d } } z \leq \frac { 1 } { 2 } \log ( ( 2 \pi e ) ^ { d } \operatorname* { d e t } \Sigma ) ,
+$$
+
+which holds with equality iff $Z$ is jointly Gaussian (Cover & Thomas, 2012). Assuming the latent distribution $Z$ follows an isotropic Gaussian, $Z \sim N ( \pmb { \mu } , \sigma ^ { 2 } I )$ with $\sigma > 0$ , we get
+
+$$
+\mathcal { H } ( Z ) = \frac { 1 } { 2 } \log ( ( 2 \pi e ) ^ { d } \operatorname* { d e t } \sigma ^ { 2 } I ) = \frac { 1 } { 2 } \log ( ( 2 \pi e \sigma ^ { 2 } ) ^ { d } \cdot 1 ) = \frac { d } { 2 } ( 1 + \log ( 2 \pi \sigma ^ { 2 } ) ) \propto \log \sigma ^ { 2 } ,
+$$
+
+.e. for a fixed dimensionality $d$ , the entropy of $Z$ is proportional to its log-variance.
+
+Now observe that the Deep SVDD objective (3) (disregarding weight decay regularization) is equivalent to minimizing the empirical variance and thus minimizes an upper bound on the entropy of a latent Gaussian. Since the Deep SVDD network is pre-trained on an autoencoding objective that implicitly maximizes the mutual information $\mathcal { T } ( X ; Z )$ (Vincent et al., 2008), we may interpret Deep SVDD as following the Infomax principle (2) with the additional “compactness” objective that the latent distribution should have minimal entropy.
+
+# 3.2 DEEP SAD
+
+We now introduce our method for deep semi-supervised anomaly detection: Deep $S A D$ . Assume that, in addition to the $n$ unlabeled samples $\pmb { x } _ { 1 } , \dots , \pmb { x } _ { n } \in \pmb { \mathcal { X } }$ with $\boldsymbol { \mathcal { X } } \subseteq \mathbb { R } ^ { D }$ , we also have access to $m$ labeled samples $( \tilde { \pmb { x } } _ { 1 } , \tilde { y } _ { 1 } ) , \dots , ( \tilde { \pmb { x } } _ { m } , \tilde { y } _ { m } ) \in \mathcal { X } \times \mathcal { Y }$ with $\mathcal { V } = \{ - 1 , + 1 \}$ where $\tilde { y } = + 1$ denotes known normal samples and $\tilde { y } ~ = ~ - 1$ known anomalies. We define our Deep $S A D$ objective as follows:
+
+$$
+\operatorname* { m i n } _ { \mathcal { W } } \quad \frac { 1 } { n + m } \sum _ { i = 1 } ^ { n } \| \phi ( \boldsymbol { x } _ { i } ; \mathcal { W } ) - c \| ^ { 2 } + \frac { \eta } { n + m } \sum _ { j = 1 } ^ { m } \left( \| \phi ( \tilde { \boldsymbol { x } } _ { j } ; \mathcal { W } ) - c \| ^ { 2 } \right) ^ { \tilde { y } _ { j } } + \frac { \lambda } { 2 } \sum _ { \ell = 1 } ^ { L } \| \boldsymbol { W } ^ { \ell } \| _ { F } ^ { 2 } .
+$$
+
+We employ the same loss term as Deep SVDD for the unlabeled data in our Deep SAD objective and thus recover Deep SVDD (3) as the special case when there is no labeled training data available $( m = 0$ ). In doing this we also incorporate the assumption that most of the unlabeled data is normal.
+
+For the labeled data, we introduce a new loss term that is weighted via the hyperparameter $\eta > 0$ which controls the balance between the labeled and the unlabeled term. Setting $\eta > 1$ puts more emphasis on the labeled data whereas $\eta < 1$ emphasizes the unlabeled data. For the labeled normal samples $\tilde { y } = + 1 )$ ), we also impose a quadratic loss on the distances of the mapped points to the center $^ c$ , thus intending to overall learn a latent distribution which concentrates the normal data. Again, one might consider $\eta > 1$ to emphasize labeled normal over unlabeled samples. For the labeled anomalies $( \tilde { y } = - 1 )$ in contrast, we penalize the inverse of the distances such that anomalies must be mapped further away from the center.1 Note that this is in line with the common assumption that anomalies are not concentrated (Schölkopf & Smola, 2002; Steinwart et al., 2005). In our experiments we found that simply setting $\eta = 1$ yields a consistent and substantial performance improvement. A sensitivity analysis on $\eta$ is in Section 4.3.
+
+We define the Deep SAD anomaly score again by the distance of the mapped point to the center $c$ as given in Eq. (4) and optimize our Deep SAD objective (7) via SGD using backpropagation. We provide a summary of the Deep SAD optimization procedure and further details in Appendix C.
+
+In addition to the inverse squared norm loss we experimented with several other losses including the negative squared norm loss, negative robust losses, and the hinge loss. The negative squared norm loss, which is unbounded from below, resulted in an ill-posed optimization problem and caused optimization to diverge. Negative robust losses, such as the Hampel loss, introduce one or more scale parameters which are difficult to select or optimize in conjunction with the changing representation learned by the network. Like Ruff et al. (2018), we observed that the hinge loss was difficult to optimize and resulted in poorer performance. The inverse squared norm loss instead is bounded from below and smooth, which are crucial properties for losses used in deep learning (Goodfellow et al., 2016), and ultimately performed the best while remaining conceptually simple.
+
+Following our insights on the connection between Deep SVDD and entropy minimization from Section 3.1, we may interpret our Deep SAD objective as modeling the latent distribution of normal data, $Z ^ { + } ~ = ~ Z | \{ Y = + 1 \}$ , to have low entropy, and the latent distribution of anomalies, $Z ^ { - } = Z | \{ Y = - 1 \}$ , to have high entropy. Minimizing the distances to the center $^ c$ (i.e., minimizing the empirical variance) for the mapped points of labeled normal samples $( \tilde { y } = + 1$ ) induces a latent distribution with low entropy for the normal data. In contrast, penalizing low variance via the inverse squared norm loss for the mapped points of labeled anomalies $\tilde { y } = - 1$ ) induces a latent distribution with high entropy for the anomalous data. That is, the network must attempt to map known anomalies to some heavy-tailed distribution. We argue that such a model better captures the nature of anomalies, which can be thought of as being generated from an infinite mixture of distributions that are different from the normal data distribution, indubitably a distribution that has high entropy. Our objective notably does not impose any cluster assumption on the anomaly-generating distribution $X | \{ Y = - 1 \}$ as is typically made in supervised or semi-supervised classification approaches (Zhu, 2005; Chapelle et al., 2009). We can express this interpretation in terms of principle (2) with an entropy regularization objective on the latent distribution:
+
+$$
+\begin{array} { r l } { \underset { p ( z | x ) } { \operatorname* { m a x } } } & { { } \mathcal { T } ( X ; Z ) + \beta ( \mathcal { H } ( Z ^ { - } ) - \mathcal { H } ( Z ^ { + } ) ) . } \end{array}
+$$
+
+To maximize the mutual information $\mathcal { T } ( X ; Z )$ , Deep SAD also relies on autoencoder pre-training (Vincent et al., 2008; Ruff et al., 2018).
+
+# 4 EXPERIMENTS
+
+We evaluate Deep SAD on MNIST, Fashion-MNIST, and CIFAR-10 as well as on classic AD benchmark datasets. We compare to shallow, hybrid, as well as deep unsupervised, semi-supervised and supervised competitors. We refer to other recent works (Ruff et al., 2018; Golan & El-Yaniv, 2018; Hendrycks et al., 2019a) for further comparisons between unsupervised deep AD methods.2
+
+# 4.1 COMPETING METHODS
+
+We consider the OC-SVM (Schölkopf et al., 2001) and SVDD (Tax & Duin, 2004) with Gaussian kernel (which in this case are equivalent), Isolation Forest (Liu et al., 2008), and KDE (Parzen, 1962) for shallow unsupervised baselines. For deep unsupervised competitors, we consider wellestablished (convolutional) autoencoders and the state-of-the-art unsupervised Deep SVDD method (Ruff et al., 2018). To avoid confusion, we note again that some literature (Song et al., 2017; Chalapathy & Chawla, 2019) refer to the methods above as being “semi-supervised” if they are trained on only labeled normal samples. For general semi-supervised AD approaches that also take advantage of labeled anomalies, we consider the state-of-the-art shallow SSAD method (Görnitz et al., 2013) with Gaussian kernel. As mentioned earlier, there are no deep competitors for general semisupervised AD that are applicable to general data types. To get a comprehensive comparison we therefore introduce a novel hybrid $S S A D$ baseline that applies SSAD to the latent codes of autoencoder models. Such hybrid methods have demonstrated solid performance improvements over their raw feature counterparts on high-dimensional data (Erfani et al., 2016; Nicolau et al., 2016). We also include such hybrid variants for all unsupervised shallow competitors. To also compare to a deep semi-supervised learning method that targets classification as the downstream task, we add the well-known Semi-Supervised Deep Generative Model (SS-DGM) (Kingma et al., 2014) where we use the latent class probability estimate (normal vs. anomalous) as the anomaly score. To complete the full learning spectrum, we also include a fully supervised deep classifier trained on the binary cross-entropy loss.
+
+In our experiments we deliberately grant the shallow and hybrid methods an unfair advantage by selecting their hyperparameters to maximize AUC on a subset $( 1 0 \% )$ of the test set to minimize hyperparameter selection issues. To control for architectural effects between the deep methods, we always use the same (LeNet-type) deep networks. Full details on network architectures and hyperparameter selection can be found in Appendices D and E. Due to space constraints, in the main text we only report results for methods which showed competitive performance and defer results for the underperforming methods in Appendix F.
+
+# 4.2 EXPERIMENTAL SCENARIOS ON MNIST, FASHION-MNIST, AND CIFAR-10
+
+Semi-supervised anomaly detection setup MNIST, Fashion-MNIST, and CIFAR-10 all have ten classes from which we derive ten AD setups on each dataset following previous works (Ruff et al., 2018; Chalapathy et al., 2018; Golan & El-Yaniv, 2018). In every setup, we set one of the ten classes to be the normal class and let the remaining nine classes represent anomalies. We use the original training data of the respective normal class as the unlabeled part of our training set. Thus we start with a clean AD setting that fulfills the assumption that most (in this case all) unlabeled samples are normal. The training data of the respective nine anomaly classes then forms the data pool from which we draw anomalies for training to create different scenarios. We compute the commonly used AUC measure on the original respective test sets using ground truth labels to make a quantitative comparison, i.e. $\tilde { y } = + 1$ for the normal class and $\tilde { y } = - 1$ for the respective nine anomaly classes. We rescale pixels to $[ 0 , 1 ]$ via min-max feature scaling as the only data pre-processing step.
+
+Experimental scenarios We examine three scenarios in which we vary the following three experimental parameters: (i) the ratio of labeled training data $\gamma _ { l }$ , (ii) the ratio of pollution $\gamma _ { p }$ in the unlabeled training data with (unknown) anomalies, and (iii) the number of anomaly classes $k _ { l }$ included in the labeled training data.
+
+(i) Adding labeled anomalies In this scenario, we investigate the effect that including labeled anomalies during training has on detection performance to see the benefit of a general semisupervised AD approach over other paradigms. To do this we increase the ratio of labeled training data $\gamma _ { l } = m / ( n \bar { + } \dot { m } )$ by adding more and more known anomalies $\tilde { \pmb { x } } _ { 1 } , \ldots , \tilde { \pmb { x } } _ { m }$ with $\tilde { y } _ { j } = - 1$ to the training set. The labeled anomalies are sampled from one of the nine anomaly classes $k _ { l } = 1 \AA$ ). For testing, we then consider all nine remaining classes as anomalies, i.e. there are eight novel classes at testing time. We do this to simulate the unpredictable nature of anomalies. For the unlabeled part of the training set, we keep the training data of the respective normal class, which we leave unpolluted in this experimental setup, i.e. $\gamma _ { p } = 0$ . We iterate this training set generation process per AD setup always over all the nine respective anomaly classes and report the average results over the ten AD setups $\times$ nine anomaly classes, i.e. over 90 experiments per labeled ratio $\gamma _ { l }$ .
+
+(ii) Polluted training data Here we investigate the robustness of the different methods to an increasing pollution ratio $\gamma _ { p }$ of the training set with unlabeled anomalies. To do so we pollute the unlabeled part of the training set with anomalies drawn from all nine respective anomaly classes in each AD setup. We fix the ratio of labeled training samples at $\gamma _ { l } = 0 . 0 5$ where we again draw samples only from $k _ { l } = 1$ anomaly class in this scenario. We repeat this training set generation process per AD setup over all the nine respective anomaly classes and report the average results over the resulting 90 experiments per pollution ratio $\gamma _ { p }$ . We hypothesize that learning from labeled anomalies in a semi-supervised AD approach alleviates the negative impact pollution has on detection performance since similar unknown anomalies in the unlabeled data might be detected.
+
+(iii) Number of known anomaly classes In the last scenario, we compare the detection performance at various numbers of known anomaly classes. In scenarios (i) and (ii), we always sample labeled anomalies only from one out of the nine anomaly classes $k _ { l } = 1 \AA$ ). In this scenario, we now increase the number of anomaly classes $k _ { l }$ included in the labeled part of the training set. Since we have a limited number of anomaly classes (nine) in each AD setup, we expect the supervised classifier to catch up at some point. We fix the overall ratio of labeled training examples again at $\gamma _ { l } = 0 . 0 5$ and consider a pollution ratio of $\gamma _ { p } = 0 . 1$ for the unlabeled training data in this scenario. We repeat this training set generation process for ten seeds in each of the ten AD setups and report the average results over the resulting 100 experiments per number $k _ { l }$ . For each seed, the $k _ { l }$ classes are drawn uniformly at random from the nine respective anomaly classes.
+
+
+Figure 2: Results of scenario (i), where we increase the ratio of labeled anomalies $\gamma _ { l }$ in the training set. We report avg. AUC with st. dev. over 90 experiments at various ratios $\gamma _ { l }$ . A $" \star "$ indicates a statistically significant $\alpha = 0 . 0 5$ ) difference between the $1 ^ { \mathrm { s t } }$ and $2 ^ { \mathrm { n d } }$ best method.
+
+Results The results of scenarios (i)–(iii) are shown in Figures 2–4. In addition to the avg. AUC with st. dev., we report the outcome of Wilcoxon signed-rank tests (Wilcoxon, 1945) applied to the first and second best performing method to indicate statistically significant $\alpha = 0 . 0 5$ ) differences in performance. Figure 2 demonstrates the benefit of our semi-supervised approach to AD especially on the most complex CIFAR-10 dataset, where Deep SAD performs best. Figure 2 moreover confirms that a supervised classification approach is vulnerable to novel anomalies at testing time when only little labeled training data is available. In comparison, Deep SAD generalizes to novel anomalies while also taking advantage of the labeled examples. Note that our novel hybrid SSAD baseline also performs well. Figure 3 shows that the detection performance of all methods decreases with increasing data pollution. Deep SAD proves to be most robust again especially on CIFAR-10. Finally, Figure 4 shows that the more diverse the labeled anomalies in the training set, the better the detection performance becomes. We can again see that the supervised method is very sensitive to the number of anomaly classes but catches up at some point as suspected. This does not occur with CIFAR-10, however, where $\gamma _ { l } = 0 . 0 5$ labeled training samples seems to be insufficient for classification. Overall, we see that Deep SAD is particularly beneficial on the more complex data.
+
+
+Figure 3: Results of scenario (ii), where we pollute the unlabeled part of the training set with (unknown) anomalies. We report avg. AUC with st. dev. over 90 experiments at various ratios $\gamma _ { p }$ . A $\cdot _ { \star } \vec { \mathbf { \nabla } }$ indicates a statistically significant $\alpha = 0 . 0 5$ ) difference between the $1 ^ { \mathrm { s t } }$ and $2 ^ { \mathrm { n d } }$ best method.
+
+
+Figure 4: Results of scenario (iii), where we increase the number of anomaly classes $k _ { l }$ included in the labeled training data. We report avg. AUC with st. dev. over 100 experiments for various $k _ { l }$ . A $" \star "$ indicates a statistically significant $\alpha = 0 . 0 5$ ) difference between the $1 ^ { \mathrm { s t } }$ and $2 ^ { \mathrm { n d } }$ best method.
+
+# 4.3 SENSITIVITY ANALYSIS
+
+We run Deep SAD experiments on the ten AD setups described above on each dataset for $\eta \in$ $\{ 1 0 ^ { - 2 } , \ldots , 1 0 ^ { 2 } \}$ to analyze the sensitivity of Deep SAD with respect to the hyperparameter $\eta > 0$ . In this analysis, we set the experimental parameters to their default, $\gamma _ { l } = 0 . 0 5$ , $\gamma _ { p } = 0 . 1$ , and $k _ { l } = 1$ , and again iterate over all nine anomaly classes in every AD setup. The results shown in Figure 5 suggest that Deep SAD is fairly robust against changes of the hyperparameter $\eta$ .
+
+In addition, we run experiments under the same experimental settings while varying the dimension $d \ \in \ \{ 2 ^ { 4 } , \dots , 2 ^ { 9 } \}$ of the output space $\mathcal { Z } \subseteq \mathbb { R } ^ { d }$ to infer the sensitivity of Deep SAD with respect to the representation dimensionality, where we keep $\eta = 1$ . The results are given in Figure 6 in Appendix A. There we also com
+
+
+Figure 5: Deep SAD sensitivity analysis w.r.t. $\eta$ We report avg. AUC with st. dev. over 90 experiments for various values of hyperparameter $\eta$ .
+
+pare to our hybrid SSAD baseline, which was the strongest competitor. Interestingly we observe that detection performance increases with dimension $d$ , converging to an upper bound in performance. This suggests that one would want to set $d$ large enough to have sufficiently high mutual information $\mathcal { T } ( X ; Z )$ before compressing to a compact characterization.
+
+# 4.4 CLASSIC ANOMALY DETECTION BENCHMARK DATASETS
+
+In a final experiment, we also examine the detection performance of the various methods on some well-established AD benchmark datasets (Rayana, 2016). We run these experiments to evaluate the deep versus the shallow approaches on non-image datasets that are rarely considered in deep AD literature. Here we observe that the shallow kernel methods seem to have a slight edge on the relatively small, low-dimensional benchmarks. Nonetheless, Deep SAD proves competitive and the small differences observed might be explained by the advantage we grant the shallow methods in their hyperparameter selection. We give the full details and results in Appendix B.
+
+Our results and other recent works (Ruff et al., 2018; Golan & El-Yaniv, 2018; Hendrycks et al., 2019a) overall demonstrate that deep methods are especially superior on complex data with hierarchical structure. Unlike other deep approaches (Ergen et al., 2017; Kiran et al., 2018; Min et al., 2018; Deecke et al., 2018; Golan & El-Yaniv, 2018), however, our Deep SAD method is not domain or data-type specific. Due to its good performance using both deep and shallow networks we expect Deep SAD to extend well to other data types.
+
+# 5 CONCLUSION AND FUTURE WORK
+
+In this work we introduced Deep SAD, a deep method for general semi-supervised anomaly detection. Our method is a generalization of the unsupervised Deep SVDD method (Ruff et al., 2018) to the semi-supervised setting. The results of our experimental evaluation suggest that general semisupervised anomaly detection should always be preferred whenever some labeled information on both normal samples or anomalies is available.
+
+Moreover, we formulated an information-theoretic framework for deep anomaly detection based on the Infomax principle. Using this framework, we interpreted our method as minimizing the entropy of the latent distribution for normal data and maximizing the entropy of the latent distribution for anomalous data. We introduced this framework with the aim of forming a basis for new methods as well as rigorous theoretical analyses in the future, e.g. studying deep anomaly detection under the rate-distortion curve (Alemi et al., 2018).
+
+# ACKNOWLEDGMENTS
+
+LR acknowledges support by the German Ministry of Education and Research (BMBF) in the project ALICE III (01IS18049B). MK and RV acknowledge support by the German Research Foundation (DFG) award KL 2698/2-1 and by the German Ministry of Education and Research (BMBF) awards 031L0023A, 01IS18051A, and 031B0770E. AB is grateful for support by the National Research Foundation of Singapore, STEE-SUTD Cyber Security Laboratory, and the Ministry of Education, Singapore, under its program MOE2016-T2-2-154. NG acknowledges support by the German Ministry of Education and Research (BMBF) through the Berlin Center for Machine Learning (01IS18037I). KRM acknowledges partial financial support by the German Ministry of Education and Research (BMBF) under grants 01IS14013A-E, 01IS18025A, 01IS18037A, 01GQ1115 and 01GQ0850; Deutsche Forschungsgesellschaft (DFG) under grant Math+, EXC 2046/1, project-ID 390685689, and by the Technology Promotion (IITP) grant funded by the Korea government (No. 2017-0-00451, No. 2017-0-01779).
+
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+# A ADDITIONAL RESULTS ON MNIST, FASHION-MNIST, AND CIFAR-10
+
+A.1 SENSITIVITY ANALYSIS W.R.T REPRESENTATION DIMENSIONALITY
+
+
+Figure 6: Sensitivity analysis w.r.t. the network representation dimensionality $d$ for our Deep SAD method and the closest competitor hybrid SSAD. We report avg. AUC with st. dev. over 90 experiments for various values of $d$ .
+
+# A.2 AUC SCATTERPLOTS OF BEST VS. SECOND BEST METHODS ON CIFAR-10
+
+We provide AUC scatterplots in Figures 7–9 of the best $( 1 ^ { \mathrm { s t } } )$ vs. second best $( 2 ^ { \mathrm { n d } } )$ performing methods in the experimental scenarios (i)–(iii) on the most complex CIFAR-10 dataset. If most points fall above the identity line, this is a very strong indication that the best method indeed significantly outperforms the second best, which often is the case for our Deep SAD method.
+
+
+Figure 7: AUC scatterplots of best $( 1 ^ { \mathrm { s t } } )$ vs. second best $( 2 ^ { \mathrm { n d } } )$ performing methods in experimental scenario (i) on CIFAR-10, where we increase the ratio of labeled anomalies $\gamma _ { l }$ in the training set.
+
+
+Figure 8: AUC scatterplots of best $( 1 ^ { \mathrm { s t } } )$ vs. second best $( 2 ^ { \mathrm { n d } } )$ performing methods in experimental scenario (ii) on CIFAR-10, where we pollute the unlabeled part of the training set with (unknown) anomalies at various ratios $\gamma _ { p }$ .
+
+
+Figure 9: AUC scatterplots of best $( 1 ^ { \mathrm { s t } } )$ vs. second best $( 2 ^ { \mathrm { n d } } )$ performing methods in experimental scenario (iii) on CIFAR-10, where we increase the number of anomaly classes $k _ { l }$ included in the labeled training data.
+
+# B RESULTS ON CLASSIC ANOMALY DETECTION BENCHMARK DATASETS
+
+In this experiment, we examine the detection performance on some well-established AD benchmark datasets (Rayana, 2016) listed in Table 1. We do this to evaluate the deep against the shallow approaches also on non-image, tabular datasets that are rarely considered in the deep AD literature. For the evaluation, we consider random train-to-test set splits of 60:40 while maintaining the original proportion of anomalies in each set. We then run experiments for 10 seeds with $\gamma _ { l } = 0 . 0 1$ and $\gamma _ { p } = 0$ , i.e. $1 \%$ of the training set are labeled anomalies and the
+
+Table 1: Anomaly detection benchmarks.
+
+
| Dataset | N | D | #outliers (%) |
| arrhythmia | 452 | 274 | 66 (14.6%) |
| cardio | 1,831 | 21 | 176 (9.6%) |
| satellite | 6,435 | 36 | 2,036 (31.6%) |
| satimage-2 | 5,803 | 36 | 71 (1.2%) |
| shuttle | 49,097 | 9 | 3,511 (7.2%) |
| thyroid | 3,772 | 6 | 93 (2.5%) |
+
+unlabeled training data is unpolluted. Since there are no specific different anomaly classes in these datasets, we have $k _ { l } = 1$ . We standardize features to have zero mean and unit variance as the only pre-processing step.
+
+Table 2 shows the results of the competitive methods. We observe that the shallow kernel methods seem to perform slightly better on the rather small, low-dimensional benchmarks. Deep SAD proves competitive though and the small differences might be explained by the strong advantage we grant the shallow methods in the selection of their hyperparameters. We provide the complete table with the results from all methods in Appendix F
+
+Table 2: Results on classic AD benchmark datasets in the setting with no pollution $\gamma _ { p } = 0$ and a ratio of labeled anomalies of $\gamma _ { l } = 0 . 0 1$ in the training set. We report avg. AUC with st. dev. computed over 10 seeds. A $" \star "$ indicates a statistically significant $\alpha = 0 . 0 5$ ) difference between $1 ^ { \mathrm { s t } }$ and $2 ^ { \mathrm { n d } }$ .
+
+| Dataset | OC-SVM Raw | OC-SVM Hybrid | Deep SVDD | SSAD Raw | SSAD Hybrid | Supervised Classifier | Deep SAD |
| arrhythmia | 84.5±3.9 | 76.7±6.2 | 74.6±9.0 | 86.7±4.0* | 78.3±5.1 | 39.2±9.5 | 75.9±8.7 |
| cardio | 98.5±0.3 | 82.8±9.3 | 84.8±3.6 | 98.8±0.3 | 86.3±5.8 | 83.2±9.6 | 95.0±1.6 |
| satellite | 95.1±0.2 | 68.6±4.8 | 79.8±4.1 | 96.2±0.3* | 86.9±2.8 | 87.2±2.1 | 91.5±1.1 |
| satimage-2 | 99.4±0.8 | 96.7±2.1 | 98.3±1.4 | 99.9±0.1 | 96.8±2.1 | 99.9±0.1 | 99.9±0.1 |
| shuttle | 99.4±0.9 | 94.1±9.5 | 86.3±7.5 | 99.6±0.5 | 97.7±1.0 | 95.1±8.0 | 98.4±0.9 |
| thyroid | 98.3±0.9 | 91.2±4.0 | 72.0±9.7 | 97.9±1.9 | 95.3±3.1 | 97.8±2.6 | 98.6±0.9 |
+
+# C OPTIMIZATION OF DEEP SAD
+
+Our Deep SAD objective (7) is generally non-convex in the network weights $\mathcal { W }$ which usually is the case in deep learning. For a computationally efficient optimization, we rely on (mini-batch) SGD to optimize the network weights using backpropagation. For improved generalization, we add $L ^ { 2 }$ weight decay regularization with hyperparameter $\lambda > 0$ to the objective. Algorithm 1 summarizes the Deep SAD optimization routine.
+
+# Algorithm 1 Optimization of Deep SAD
+
+#
+
+Unlabeled data: $\pmb { x } _ { 1 } , \ldots , \pmb { x } _ { n }$
+Labeled data: $( \pmb { x } _ { 1 } ^ { \prime } , \pmb { y } _ { 1 } ^ { \prime } ) , \dots , ( \pmb { x } _ { m } ^ { \prime } , \pmb { y } _ { m } ^ { \prime } )$
+Hyperparameters: $\eta , \lambda$
+SGD learning rate: $\varepsilon$
+
+Output: Trained model: $\mathcal { W } ^ { \ast }$
+
+1: Initialize: Neural network weights: $\mathcal { W }$ Hypersphere center: $^ c$
+
+2: for each epoch do
+3: for each mini-batch do
+4: Draw mini-batch $\boldsymbol { B }$
+5: $\mathcal { W } \mathcal { W } - \varepsilon \cdot \nabla \mathcal { w } J ( \mathcal { W } ; \mathcal { B } )$
+6: end for
+7: end for
+
+Using SGD allows Deep SAD to scale with large datasets as the computational complexity scales linearly in the number of training batches and computations in each batch can be parallelized (e.g., by training on GPUs). Moreover, Deep SAD has low memory complexity as a trained model is fully characterized by the final network parameters $\mathcal { W } ^ { \ast }$ and no data must be saved or referenced for prediction. Instead, the prediction only requires a forward pass on the network which usually is just a concatenation of simple functions. This enables fast predictions for Deep SAD.
+
+Initialization of the network weights $\mathcal { W }$ We establish an autoencoder pre-training routine for initialization. That is, we first train an autoencoder that has an encoder with the same architecture as network $\phi$ on the reconstruction loss (mean squared error or cross-entropy). After training, we then initialize $\mathcal { W }$ with the converged parameters of the encoder. Note that this is in line with the Infomax principle (2) for unsupervised representation learning (Vincent et al., 2008).
+
+Initialization of the center $^ c$ After initializing the network weights $\mathcal { W }$ , we fix the hypersphere center $^ c$ as the mean of the network representations that we obtain from an initial forward pass on the data (excluding labeled anomalies). We found SGD convergence to be smoother and faster by fixing center $^ c$ in the neighborhood of the initial data representations as also observed by Ruff et al. (2018). If sufficiently many labeled normal examples are available, using only those examples for a mean initialization would be another strategy to minimize possible distortions from polluted unlabeled training data. Adding center $^ c$ as a free optimization variable would allow a trivial “hypersphere collapse” solution for the fully unlabeled setting, i.e. for unsupervised Deep SVDD.
+
+Preventing a hypersphere collapse A “hypersphere collapse” describes the trivial solution that neural network $\phi$ converges to the constant function $\phi \equiv c$ , i.e. the hypersphere collapses to a single point. Ruff et al. (2018) demonstrate theoretical network properties that prevent such a collapse which we adopt for Deep SAD. Most importantly, network $\phi$ must have no bias terms and no bounded activation functions. We refer to Ruff et al. (2018) for further details. If there are sufficiently many labeled anomalies available for training, however, hypersphere collapse is not a problem for Deep SAD due to the opposing labeled and unlabeled objectives.
+
+# D NETWORK ARCHITECTURES
+
+We employ LeNet-type convolutional neural networks (CNNs) on MNIST, Fashion-MNIST, and CIFAR-10, where each convolutional module consists of a convolutional layer followed by leaky ReLU activations with leakiness $\alpha = 0 . 1$ and $( 2 \times 2 )$ -max-pooling. On MNIST, we employ a CNN with two modules, $8 \times ( 5 \times 5 )$ -filters followed by $4 \times ( 5 \times 5 )$ -filters, and a final dense layer of 32 units. On Fashion-MNIST, we employ a CNN also with two modules, $1 6 \times ( 5 \times 5 )$ -filters and $3 2 \times ( 5 \times 5 )$ - filters, followed by two dense layers of 64 and 32 units respectively. On CIFAR-10, we employ a CNN with three modules, $3 2 \times ( 5 \times 5 )$ -filters, $6 4 \times ( 5 \times 5 )$ -filters, and $1 2 8 \times ( 5 \times 5 )$ -filters, followed by a final dense layer of 128 units.
+
+On the classic AD benchmark datasets, we employ standard MLP feed-forward architectures. On arrhythmia, a 3-layer MLP with 128-64-32 units. On cardio, satellite, satimage-2, and shuttle a 3-layer MLP with 32-16-8 units. On thyroid a 3-layer MLP with 32-16-4 units.
+
+For the (convolutional) autoencoders, we always employ the above architectures for the encoder networks and then construct the decoder networks symmetrically, where we replace max-pooling with simple upsampling and convolutions with deconvolutions.
+
+# E DETAILS ON COMPETING METHODS
+
+OC-SVM/SVDD The OC-SVM and SVDD are equivalent for the Gaussian/RBF kernel we employ. As mentioned in the main paper, we deliberately grant the OC-SVM/SVDD an unfair advantage by selecting its hyperparameters to maximize AUC on a subset $( 1 0 \% )$ of the test set to establish a strong baseline. To do this, we consider the RBF scale parameter $\gamma \in \{ 2 ^ { - 7 } , 2 ^ { - 6 } , \dots 2 ^ { 2 } \}$ and select the best performing one. Moreover, we always repeat this over $\nu$ -parameter $\nu \in$ $\{ 0 . 0 1 , 0 . 0 5 , 0 . 1 , 0 . 2 , \bar { 0 } . 5 \}$ and then report the best final result.
+
+Isolation Forest $\mathbf { \Pi } ^ { ( \mathbf { I I F } ) }$ We set the number of trees to $t = 1 0 0$ and the sub-sampling size to $\psi = 2 5 6$ as recommended in the original work (Liu et al., 2008).
+
+Kernel Density Estimator (KDE) We select the bandwidth $h$ of the Gaussian kernel from $h \in$ $\{ 2 ^ { 0 . 5 } , 2 ^ { 1 } , \dots , \bar { 2 } ^ { 5 } \}$ via 5-fold cross-validation using the log-likelihood score following (Ruff et al., 2018).
+
+SSAD We also deliberately grant the state-of-the-art semi-supervised AD kernel method SSAD the unfair advantage of selecting its hyperparameters optimally to maximize AUC on a subset $( 1 0 \% )$ of the test set. To do this, we again select the scale parameter $\gamma$ of the RBF kernel we use from $\gamma \in \{ 2 ^ { - 7 } , 2 ^ { - 6 } , \dots 2 ^ { 2 } \}$ and select the best performing one. Otherwise we set the hyperparameters as recommend by the original authors to $\kappa = 1$ , $\kappa = 1$ , $\eta _ { u } = 1$ , and $\eta _ { l } = 1$ (Görnitz et al., 2013).
+
+(Convolutional) Autoencoder ((C)AE) To create the (convolutional) autoencoders, we symmetrically construct the decoders w.r.t. the architectures reported in Appenidx D, which make up the encoder parts of the autoencoders. Here, we replace max-pooling with simple upsampling and convolutions with deconvolutions. We train the autoencoders on the MSE reconstruction loss that also serves as the anomaly score.
+
+Hybrid Variants To establish hybrid methods, we apply the OC-SVM, IF, KDE, and SSAD as outlined above to the resulting bottleneck representations given by the respective converged autoencoders.
+
+Unsupervised Deep SVDD We consider both variants, Soft-Boundary Deep SVDD and One-Class Deep SVDD as unsupervised baselines and always report the better performance as the unsupervised result. For Soft-Boundary Deep SVDD, we optimally solve for the radius $R$ on every mini-batch and run experiments for $\nu \in \{ 0 . 0 1 , 0 . 1 \}$ . We set the weight decay hyperparameter to $\lambda = 1 0 ^ { - 6 }$ . Fo r Deep SVDD, we always remove all the bias terms from a network to prevent a hypersphere collapse as recommended by the authors in the original work (Ruff et al., 2018).
+
+Deep SAD We set $\lambda = 1 0 ^ { - 6 }$ and equally weight the unlabeled and labeled examples by setting $\eta = 1$ if not reported otherwise.
+
+SS-DGM We consider both the M2 and $\mathbf { M } 1 { + } \mathbf { M } 2$ model and always report the better performing result. Otherwise we follow the settings as recommended in the original work (Kingma et al., 2014).
+
+Note that we use the latent class probability estimate (normal vs. anomalous) of semi-supervised DGM as a natural choice for the anomaly score, and not the reconstruction error as used for unsupervised autoencoding models such as the (convolutional) autoencoder we consider. Such deep semi-supervised models designed for classification as the downstream task have no notion of outof-distribution and again implicitly make the cluster assumption (Zhu, 2005; Chapelle et al., 2009) we refer to. Thus, semi-supervised DGM also suffers from overfitting to previously seen anomalies at training similar to the supervised model which explains its bad AD performance.
+
+Supervised Deep Binary Classifier To interpret AD as a binary classification problem, we rely on the typical assumption that most of the unlabeled training data is normal by assigning $y = + 1$ to all unlabeled examples. Already labeled normal examples and labeled anomalies retain their assigned labels of $\tilde { y } = + 1$ and $\tilde { y } = - 1$ respectively. We train the supervised classifier on the binary crossentropy loss. Note that in scenario (i), in particular, the supervised classifier has perfect, unpolluted label information but still fails to generalize as there are novel anomaly classes at testing.
+
+SGD Optimization Details for Deep Methods We use the Adam optimizer with recommended default hyperparameters (Kingma & Ba, 2015) and apply Batch Normalization (Ioffe & Szegedy, 2015) in SGD optimization. For all deep approaches and on all datasets, we employ a two-phase (“searching” and “fine-tuning”) learning rate schedule. In the searching phase we first train with a learning rate $\varepsilon = 1 0 ^ { - 4 }$ for 50 epochs. In the fine-tuning phase we train with $\varepsilon = 1 0 ^ { - 5 }$ for another 100 epochs. We always use a batch size of 200. For the autoencoder, SS-DGM, and the supervised classifier, we initialize the network with uniform Glorot weights (Glorot & Bengio, 2010). For Deep SVDD and Deep SAD, we establish an unsupervised pre-training routine via autoencoder as explained in Appendix C, where we set the network $\phi$ to be the encoder of the autoencoder that we train beforehand.
+
+# F COMPLETE TABLES OF EXPERIMENTAL RESULTS
+
+The following Tables 3–6 list the complete experimental results of all the methods in all our experiments.
+
+Table 3 : Complete results of experimental scenario (i) , where we increase the ratio of labeled anomalies $\gamma _ { l }$ in the training set. We report the avg. AUC with st. dev. computed over 90 experiments at various ratios $\gamma _ { l }$
+
+| Data | 2 | OC-SVM Raw | OC-SVM Hybrid | IF Raw | IF Hybrid | KDE Raw | KDE Hybrid | CAE | Deep SVDD | SSAD | SSAD Hybrid | SS-DGM | Deep SAD | Supervised Classifier |
| Raw |
| MNIST | .00 | 96.0±2.9 | 96.3±2.5 | 85.4±8.7 | 90.5±5.3 | 95.0±3.3 | 87.8±5.6 | 92.9±5.7 | 92.8±4.9 | 96.0±2.9 96.6±2.4 | 96.3±2.5 96.8±2.3 | | 92.8±4.9 | |
| .01 | | | | | | | | | 93.3±3.6 | 97.4±2.0 | 89.9±9.2 92.2±5.6 | 96.4±2.7 96.7±2.4 | 92.8±5.5 |
| .05 | | | | | | | | | 90.7±4.4 | 97.6±1.7 | 91.6±5.5 | 96.9±2.3 | 94.5±4.6 |
| .10 | | | | | | | | | 87.2±5.6 | 97.8±1.5 | 91.2±5.6 | 96.9±2.4 | 95.0±4.7 |
| .20 | | | | | 92.0±4.9 | 69.7±14.4 | 90.2±5.8 | | | | | | 95.6±4.4 |
| .00 | 92.8±4.7 | 91.2±4.7 | 91.6±5.5 | 82.5±8.1 | | | | 89.2±6.2 | 92.8±4.7 92.1±5.0 | 91.2±4.7 89.4±6.0 | 65.1±16.3 | 89.2±6.2 90.0±6.4 | 74.4±13.6 |
| CIFAR-10 | .01 .05 | | | | | | | | | 88.3±6.2 | 90.5±5.9 | 71.4±12.7 | 90.5±6.5 | 76.8±13.2 |
| .10 | | | | | | | | | 85.5±7.1 | 91.0±5.6 | 72.9±12.2 | 91.3±6.0 | 79.0±12.3 |
| .20 | | | | | | | | | 82.0±8.0 | 89.7±6.6 | 74.7±13.5 | 91.0±5.5 | 81.4±12.0 |
| .00 | 62.0±10.6 | 63.8±9.0 | 60.0±10.0 | 59.9±6.7 | 59.9±11.7 | 56.1±10.2 | 56.2±13.2 | 60.9±9.4 | 62.0±10.6 | 63.8±9.0 | | 60.9±9.4 | |
| | | | | | | | | 73.0±8.0 | 70.5±8.3 | 49.7±1.7 | 72.6±7.4 | 55.6±5.0 |
| .01 .05 | | | | | | | | | 71.5±8.1 | 73.3±8.4 | 50.8±4.7 | 77.9±7.2 | 63.5±8.0 |
| .10 | | | | | | | | | 70.1±8.1 | 74.0±8.1 | 52.0±5.5 | 79.8±7.1 | 67.7±9.6 |
| .20 | | | | | | | | | 67.4±8.8 | 74.5±8.0 | 53.2±6.7 | 81.9±7.0 | 80.5±5.9 |
| | | | | | | | | | | | | |
+
+Table 4 : Complete results of experimental scenario (ii) , where we pollute the unlabeled part of the training set with (unknown) anomalies . We report the avg. AUC with st. dev. computed over 90 experiments at various ratios $\gamma _ { p }$
+
+| Data | Yp | OC-SVM Raw | OC-SVM Hybrid | IF Raw | IF Hybrid | KDE Raw | KDE Hybrid | CAE | Deep SVDD | SSAD Raw | SSAD Hybrid | SS-DGM | Deep SAD | Supervised Classifier |
| MNIST | .00 .01 | 96.0±2.9 | 96.3±2.5 | 85.4±8.7 | 90.5±5.3 | 95.0±3.3 | 87.8±5.6 | 92.9±5.7 | 92.8±4.9 | 97.9±1.8 | 97.4±2.0 | 92.2±5.6 | 96.7±2.4 | 94.5±4.6 |
| | 94.3±3.9 | 95.6±2.5 | 85.2±8.8 | 90.6±5.0 | 91.2±4.9 | 87.9±5.3 | 91.3±6.1 | 92.1±5.1 | 96.6±2.4 | 95.2±2.3 | 92.0±6.0 | 95.5±3.3 | 91.5±5.9 |
| .05 | | 91.4±5.2 | 93.8±3.9 | 83.9±9.2 | 89.7±6.0 | 85.5±7.1 | 87.3±7.0 | 87.2±7.1 | 89.4±5.8 | 93.4±3.4 | 89.5±3.9 | 91.0±6.9 | 93.5±4.1 | 86.7±7.4 |
| .10 | 88.8±6.0 | 91.4±5.1 | 82.3±9.5 | 88.2±6.5 | 82.1±8.5 | 85.9±6.6 | 83.7±8.4 | 86.5±6.8 | 90.7±4.4 | 86.0±4.6 | 89.7±7.5 | 91.2±4.9 | 83.6±8.2 |
| .20 | 84.1±7.6 | 85.9±7.6 | 78.7±10.5 | 85.3±7.9 | 77.4±10.9 | 82.6±8.6 | 78.6±10.3 | 81.5±8.4 | 87.4±5.6 | 82.1±5.4 | 87.4±8.6 | 86.6±6.6 | 79.7±9.4 |
| F-MNIST | .00 | 92.8±4.7 | 91.2±4.7 | 91.6±5.5 | 82.5±8.1 | 92.0±4.9 | 69.7±14.4 | 90.2±5.8 | 89.2±6.2 | 94.0±4.4 | 90.5±5.9 | 71.4±12.7 | 90.5±6.5 | 76.8±13.2 |
| | 91.7±5.0 | 91.5±4.6 | 91.5±5.5 | 84.9±7.2 | 89.4±6.3 | 73.9±12.4 | 87.1±7.3 | 86.3±6.3 | 92.2±4.9 | 87.8±6.1 | 71.2±14.3 | 87.2±7.1 | 67.3±8.1 |
| .01 .05 | 90.7±5.5 | 90.7±4.9 | 90.9±5.9 | 85.5±7.2 | 85.2±9.1 | 75.4±12.9 | 81.6±9.6 | 80.6±7.1 | 88.3±6.2 | 82.7±7.8 | 71.9±14.3 | 81.5±8.5 | 59.8±4.6 |
| .10 | 89.5±6.1 | 89.3±6.2 | 90.2±6.3 | 85.5±7.7 | 81.8±11.2 | 77.8±12.0 | 77.4±11.1 | 76.2±7.3 | 85.6±7.0 | 79.8±9.0 | 72.5±15.5 | 78.2±9.1 | 56.7±4.1 |
| .20 | 86.3±7.7 | 88.1±6.9 | 88.4±7.6 | 86.3±7.4 | 77.4±13.6 | 82.1±9.8 | 72.5±12.6 | 69.3±6.3 | 81.9±8.1 | 74.3±10.6 | 70.8±16.0 | 74.8±9.4 | 53.9±2.9 |
| | | | | | | | | | | | | | |
| CIFAR-10 | .00 | 62.0±10.6 | 63.8±9.0 | 60.0±10.0 | 59.9±6.7 | 59.9±11.7 | 56.1±10.2 | 56.2±13.2 | 60.9±9.4 | 73.8±7.6 | 73.3±8.4 | 50.8±4.7 | 77.9±7.2 | 63.5±8.0 |
| .01 | 61.9±10.6 | 63.8±9.3 | 59.9±10.1 | 59.9±6.7 | 59.2±12.3 | 56.3±10.4 | 56.2±13.1 | 60.5±9.4 | 73.0±8.0 | 72.8±8.1 | 51.1±4.7 | 76.5±7.2 | 62.9±7.3 |
| .05 | 61.4±10.7 | 62.6±9.2 | 59.6±10.1 | 59.6±6.4 | 58.1±12.9 | 55.6±10.5 | 55.7±13.3 | 59.6±9.8 | 71.5±8.2 | 71.0±8.4 | 50.1±2.9 | 74.0±6.9 | 62.2±8.2 |
| .10 | 60.8±10.7 | 62.9±8.2 | 58.8±10.1 | 59.1±6.6 | 57.3±13.5 | 54.9±11.1 | 55.4±13.3 | 58.6±10.0 | 69.8±8.4 | 69.3±8.5 | 50.5±3.6 | 71.8±7.0 | 60.6±8.3 |
| .20 | 60.3±10.3 | 61.9±8.1 | 57.9±10.1 | 58.3±6.2 | 56.2±13.9 | 54.2±11.1 | 54.6±13.3 | 57.0±10.6 | 67.8±8.6 | 67.9±8.1 | 50.1±1.7 | 68.5±7.1 | 58.5±6.7 |
+
+Table 5 : Complete results of experimental scenario (iii) , where we increase the number of anomaly classes $k _ { l }$ included in the labeled training data. We report the avg. AUC with st. dev. computed over 1OO experiments at various numbers $k _ { l }$
+
+| Data | k | OC-SVM Raw | OC-SVM Hybrid | IF Raw | IF Hybrid | KDE KDE Raw Hybrid | CAE | | Deep SVDD | SSAD Raw | SSAD Hybrid | SS-DGM | Deep SAD | Supervised Classifier |
| MNIST | 0 1 2 | 88.8±6.0 | 91.4±5.1 | 82.3±9.5 | 88.2±6.5 | 82.1±8.5 | 85.9±6.6 | 83.7±8.4 | 86.5±6.8 | 88.8±6.0 90.7±4.4 92.5±3.6 93.9±3.3 | 91.4±5.1 86.0±4.6 87.7±3.8 89.8±3.3 | 89.7±7.5 92.8±5.3 94.9±4.2 | 86.5±6.8 91.2±4.9 92.0±3.6 94.7±2.8 | 83.6±8.2 90.3±4.6 93.9±2.8 |
| F-MNIST | 3 0 1 2 3 | 89.5±6.1 | 89.3±6.2 | 90.2±6.3 | 85.5±7.7 | 81.8±11.2 | 77.8±12.0 | 77.4±11.1 | 76.2±7.3 | 95.5±2.5 89.5±6.1 85.6±7.0 87.8±6.1 89.4±5.5 | 91.9±3.0 89.3±6.2 79.8±9.0 80.1±10.5 83.8±9.4 86.8±7.7 | 96.7±2.3 72.5±15.5 74.3±15.4 77.5±14.7 79.9±13.8 | 97.3±1.8 76.2±7.3 78.2±9.1 80.5±8.2 83.9±7.4 | 96.9±1.7 56.7±4.1 62.3±2.9 67.3±3.0 |
| CIFAR-10 | 5 0 1 2 3 | 60.8±10.7 | 62.9±8.2 | 58.8±10.1 | 59.1±6.6 | 57.3±13.5 | 54.9±11.1 | 55.4±13.3 | 58.6±10.0 | 60.8±10.7 69.8±8.4 73.0±7.1 73.8±6.6 75.1±5.5 | 62.9±8.2 69.3±8.5 72.3±7.5 73.3±7.0 74.2±6.5 | 50.5±3.6 50.3±2.4 50.0±0.7 50.0±1.0 | 58.6±10.0 71.8±7.0 75.2±6.4 77.5±5.9 80.4±4.6 | 60.6±8.3 61.0±6.6 62.7±6.8 60.9±4.6 |
+
+Table 6 : Complete results on classic AD benchmark datasets in the setting with no pollution $\gamma _ { p } = 0$ and a ratio of labeled anomalies of $\gamma _ { l } = 0 . 0 1$ in the training set. We report the avg. AUC with st. dev. computed over 10 seeds.
+
+ | OC-SVM | OC-SVM | | Deep | SSAD | SSAD | | Deep | Supervised |
| Data | Raw | Hybrid | CAE | SVDD | Raw | Hybrid | SS-DGM | SAD | Classifier |
| arrhythmia | 84.5±3.9 | 76.7±6.2 | 74.0±7.5 | 74.6±9.0 | 86.7±4.0 | 78.3±5.1 | 50.3±9.8 | 75.9±8.7 | 39.2±9.5 |
| cardio | 98.5±0.3 | 82.8±9.3 | 94.3±2.0 | 84.8±3.6 | 98.8±0.3 | 86.3±5.8 | 66.2±14.3 | 95.0±1.6 | 83.2±9.6 |
| satellite | 95.1±0.2 | 68.6±4.8 | 80.0±1.7 | 79.8±4.1 | 96.2±0.3 | 86.9±2.8 | 57.4±6.4 | 91.5±1.1 | 87.2±2.1 |
| satimage-2 | 99.4±0.8 | 96.7±2.1 | 99.9±0.0 | 98.3±1.4 | 99.9±0.1 | 96.8±2.1 | 99.2±0.6 | 99.9±0.1 | 99.9±0.1 |
| shuttle | 99.4±0.9 | 94.1±9.5 | 98.2±1.2 | 86.3±7.5 | 99.6±0.5 | 97.7±1.0 | 97.9±0.3 | 98.4±0.9 | 95.1±8.0 |
| thyroid | 98.3±0.9 | 91.2±4.0 | 75.2±10.2 | 72.0±9.7 | 97.9±1.9 | 95.3±3.1 | 72.7±12.0 | 98.6±0.9 | 97.8±2.6 |
\ No newline at end of file
diff --git a/parse/train/HkgH0TEYwH/HkgH0TEYwH_content_list.json b/parse/train/HkgH0TEYwH/HkgH0TEYwH_content_list.json
new file mode 100644
index 0000000000000000000000000000000000000000..4171c9252314d06131949d019caa5409bc3247c0
--- /dev/null
+++ b/parse/train/HkgH0TEYwH/HkgH0TEYwH_content_list.json
@@ -0,0 +1,2198 @@
+[
+ {
+ "type": "text",
+ "text": "DEEP SEMI-SUPERVISED ANOMALY DETECTION ",
+ "text_level": 1,
+ "bbox": [
+ 173,
+ 99,
+ 758,
+ 121
+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "Lukas Ruff1 Robert A. Vandermeulen1∗ Nico Görnitz 1 2 \nAlexander Binder3 Emmanuel Müller4 \nKlaus-Robert Müller1 5 6 Marius Kloft7† \n1Technical University of Berlin, Germany \n2123ai.de, Berlin, Germany \n3Singapore University of Technology & Design, Singapore \n4Bonn-Aachen International Center for Information Technology, Germany \n5Korea University, Seoul, Republic of Korea \n6Max Planck Institute for Informatics, Saarbrücken, Germany \n7Technical University of Kaiserslautern, Germany \n{lukas.ruff, vandermeulen, nico.goernitz}@tu-berlin.de \nalexander_binder@sutd.edu.sg mueller@bit.uni-bonn.de \nklaus-robert.mueller@tu-berlin.de kloft@cs.uni-kl.de ",
+ "bbox": [
+ 230,
+ 143,
+ 767,
+ 333
+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "ABSTRACT ",
+ "text_level": 1,
+ "bbox": [
+ 452,
+ 369,
+ 544,
+ 385
+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "Deep approaches to anomaly detection have recently shown promising results over shallow methods on large and complex datasets. Typically anomaly detection is treated as an unsupervised learning problem. In practice however, one may have— in addition to a large set of unlabeled samples—access to a small pool of labeled samples, e.g. a subset verified by some domain expert as being normal or anomalous. Semi-supervised approaches to anomaly detection aim to utilize such labeled samples, but most proposed methods are limited to merely including labeled normal samples. Only a few methods take advantage of labeled anomalies, with existing deep approaches being domain-specific. In this work we present Deep SAD, an end-to-end deep methodology for general semi-supervised anomaly detection. We further introduce an information-theoretic framework for deep anomaly detection based on the idea that the entropy of the latent distribution for normal data should be lower than the entropy of the anomalous distribution, which can serve as a theoretical interpretation for our method. In extensive experiments on MNIST, Fashion-MNIST, and CIFAR-10, along with other anomaly detection benchmark datasets, we demonstrate that our method is on par or outperforms shallow, hybrid, and deep competitors, yielding appreciable performance improvements even when provided with only little labeled data. ",
+ "bbox": [
+ 232,
+ 401,
+ 764,
+ 650
+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "1 INTRODUCTION ",
+ "text_level": 1,
+ "bbox": [
+ 176,
+ 678,
+ 336,
+ 693
+ ],
+ "page_idx": 0
+ },
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+ "text": "Anomaly detection (AD) (Chandola et al., 2009; Pimentel et al., 2014) is the task of identifying unusual samples in data. Typically AD methods attempt to learn a “compact” description of the data in an unsupervised manner assuming that most of the samples are normal (i.e., not anomalous). For example, in one-class classification (Moya et al., 1993; Schölkopf et al., 2001) the objective is to find a set of small measure which contains most of the data and samples not contained in that set are deemed anomalous. Shallow unsupervised AD methods such as the One-Class SVM (Schölkopf et al., 2001; Tax & Duin, 2004), Kernel Density Estimation (Parzen, 1962; Kim & Scott, 2012; Vandermeulen & Scott, 2013), or Isolation Forest (Liu et al., 2008) often require manual feature engineering to be effective on high-dimensional data and are limited in their scalability to large datasets. These limitations have sparked great interest in developing novel deep approaches to unsupervised AD (Erfani et al., 2016; Zhai et al., 2016; Chen et al., 2017; Ruff et al., 2018; Deecke et al., 2018; Ruff et al., 2019; Golan & El-Yaniv, 2018; Pang et al., 2019; Hendrycks et al., 2019a;b). ",
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+ "Figure 1: The need for semi-supervised anomaly detection: The training data (shown in (a)) consists of (mostly normal) unlabeled data (gray) as well as a few labeled normal samples (blue) and labeled anomalies (orange). Figures (b)–(f) show the decision boundaries of the various learning paradigms at testing time along with novel anomalies that occur (bottom left in each plot). Our semi-supervised AD approach takes advantage of all training data: unlabeled samples, labeled normal samples, as well as labeled anomalies. This strikes a balance between one-class learning and classification. "
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+ "text": "Unlike the standard unsupervised AD setting, in many real-world applications one may also have access to some verified (i.e., labeled) normal or anomalous samples in addition to the unlabeled data. Such samples could be hand labeled by a domain expert for instance. This leads to a semi-supervised AD problem: given $n$ (mostly normal but possibly containing some anomalous contamination) unlabeled samples $\\pmb { x } _ { 1 } , \\ldots , \\pmb { x } _ { n }$ and $m$ labeled samples $( \\tilde { \\pmb { x } } _ { 1 } , \\tilde { y } _ { 1 } ) , \\dots , ( \\tilde { \\pmb { x } } _ { m } , \\tilde { y } _ { m } )$ , where $\\tilde { y } = + 1$ and $\\tilde { y } = - 1$ denote normal and anomalous samples respectively, the task is to learn a model that compactly characterizes the “normal class.” ",
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+ "text": "The term semi-supervised anomaly detection has been used to describe two different AD settings. Most existing “semi-supervised” AD methods, both shallow (Muñoz-Marí et al., 2010; Blanchard et al., 2010; Chandola et al., 2009) and deep (Song et al., 2017; Akcay et al., 2018; Chalapathy & Chawla, 2019), only incorporate the use of labeled normal samples but not labeled anomalies, i.e. they are more precisely instances of Learning from Positive (i.e., normal) and Unlabeled Examples (LPUE) (Denis, 1998; Zhang & Zuo, 2008). A few works (Wang et al., 2005; Liu & Zheng, 2006; Görnitz et al., 2013) have investigated the general semi-supervised AD setting where one also utilizes labeled anomalies, however existing deep approaches are domain or data-type specific (Ergen et al., 2017; Kiran et al., 2018; Min et al., 2018). ",
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+ "text": "Research on deep semi-supervised learning has almost exclusively focused on classification as the downstream task (Kingma et al., 2014; Rasmus et al., 2015; Odena, 2016; Dai et al., 2017; Oliver et al., 2018). Such semi-supervised classifiers typically assume that similar points are likely to be of the same class, this is known as the cluster assumption (Zhu, 2005; Chapelle et al., 2009). This assumption, however, only holds for the “normal class” in AD, but is crucially invalid for the “anomaly class” since anomalies are not necessarily similar to one another. Instead, semi-supervised AD approaches must find a compact description of the normal class while also correctly discriminating the labeled anomalies (Görnitz et al., 2013). Figure 1 illustrates the differences between various learning paradigms applied to AD on a toy example. ",
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+ "text": "We introduce Deep SAD (Deep Semi-supervised Anomaly Detection) in this work, an end-to-end deep method for general semi-supervised AD. Our main contributions are the following: ",
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+ "text": "• We introduce Deep SAD, a generalization of the unsupervised Deep SVDD method (Ruff et al., 2018) to the semi-supervised AD setting. \n• We present an information-theoretic framework for deep AD, which can serve as an interpretation of our Deep SAD method and similar approaches. \n• We conduct extensive experiments in which we establish experimental scenarios for the general semi-supervised AD problem where we also introduce novel baselines. ",
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+ "text": "2 AN INFORMATION-THEORETIC VIEW ON DEEP ANOMALY DETECTION ",
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+ "text": "The study of the theoretical foundations of deep learning is an active and ongoing research effort (Montavon et al., 2011; Tishby & Zaslavsky, 2015; Cohen et al., 2016; Eldan & Shamir, 2016; Neyshabur et al., 2017; Raghu et al., 2017; Zhang et al., 2017; Achille & Soatto, 2018; Arora et al., 2018; Belkin et al., 2018; Wiatowski & Bölcskei, 2018; Lapuschkin et al., 2019). One important line of research that has emerged is rooted in information theory (Shannon, 1948). In the supervised classification setting where one has input variable $X$ , latent variable $Z$ (e.g., the final layer of a deep network), and output variable $Y$ (i.e., the label), the well-known Information Bottleneck principle (Tishby et al., 1999; Tishby & Zaslavsky, 2015; Shwartz-Ziv & Tishby, 2017; Alemi et al., 2017; Saxe et al., 2018) provides an explanation for representation learning as the trade-off between finding a minimal compression $Z$ of the input $X$ while retaining the informativeness of $Z$ for predicting the label $Y$ . Put formally, supervised deep learning seeks to minimize the mutual information $\\mathcal { T } ( X ; Z )$ between the input $X$ and the latent representation $Z$ while maximizing the mutual information $\\mathcal { T } ( Z ; Y )$ between $Z$ and the classification task $Y$ , i.e. ",
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+ "text": "$$\n\\begin{array} { r l } { \\underset { p ( z | x ) } { \\operatorname* { m i n } } } & { { } \\mathcal { T } ( X ; Z ) - \\alpha \\mathcal { T } ( Z ; Y ) , } \\end{array}\n$$",
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+ "text": "where $p ( z | x )$ is modeled by a deep network and the hyperparameter $\\alpha > 0$ controls the trade-off between compression (i.e., complexity) and classification accuracy. ",
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+ "text": "For unsupervised deep learning, due to the absence of labels $Y$ and thus the lack of a clear task, other information-theoretic learning principles have been formulated. Of these, the Infomax principle (Linsker, 1988; Bell & Sejnowski, 1995; Hjelm et al., 2019) is one of the most prevalent and widely used principles. In contrast to (1), the objective of Infomax is to maximize the mutual information $\\mathcal { T } ( X ; Z )$ between the data $X$ and its latent representation $Z$ : ",
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+ "text": "$$\n\\begin{array} { r l } { \\underset { p ( z | x ) } { \\operatorname* { m a x } } } & { { } \\mathcal { T } ( X ; Z ) + \\beta \\mathcal { R } ( Z ) . } \\end{array}\n$$",
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+ "text": "This is typically done under some additional constraint or regularization $\\mathcal { R } ( Z )$ on the representation $Z$ with hyperparameter $\\beta > 0$ to obtain statistical properties desired for some specific downstream task. Examples where the Infomax principle has been applied include tasks such as independent component analysis (Bell & Sejnowski, 1995), clustering (Slonim et al., 2005; Ji et al., 2018), generative modeling (Chen et al., 2016; Hoffman $\\&$ Johnson, 2016; Zhao et al., 2017; Alemi et al., 2018), and unsupervised representation learning in general (Hjelm et al., 2019). ",
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+ "text": "We observe that the Infomax principle has also been applied in previous deep representations for AD. Most notably autoencoders (Rumelhart et al., 1986; Hinton & Salakhutdinov, 2006), which are the predominant approach to deep AD (Hawkins et al., 2002; Sakurada & Yairi, 2014; Andrews et al., 2016; Erfani et al., 2016; Zhai et al., 2016; Chen et al., 2017; Chalapathy & Chawla, 2019), can be understood as implicitly maximizing the mutual information $\\mathcal { T } ( X ; Z )$ via the reconstruction objective (Vincent et al., 2008) under some regularization of the latent code $Z$ . Choices for regularization include sparsity (Makhzani & Frey, 2014), the distance to some latent prior distribution, e.g. measured via the KL divergence (Kingma & Welling, 2013; Rezende et al., 2014), an adversarial loss (Makhzani et al., 2015), or simply a bottleneck in dimensionality. Such restrictions for AD share the idea that the latent representation of the normal data should be in some sense “compact.” ",
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+ "text": "As illustrated in Figure 1, a supervised (or semi-supervised) classification approach to AD only learns to recognize anomalies similar to those seen during training, due to the class cluster assumption (Chapelle et al., 2009). However, anything not normal is by definition an anomaly and thus anomalies do not have to be similar. This makes supervised (or semi-supervised) classification learning principles such as (1) ill-defined for AD. We instead build upon principle (2) to motivate a deep method for general semi-supervised AD, where we include the label information $Y$ through a novel representation learning regularization objective $\\mathcal { R } ( Z ) = \\mathcal { R } ( Z ; Y )$ that is based on entropy. ",
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+ "type": "text",
+ "text": "3 DEEP SEMI-SUPERVISED ANOMALY DETECTION ",
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+ "text": "In the following, we introduce Deep $S A D$ , a deep method for general semi-supervised AD. To formulate our objective, we first briefly explain the unsupervised Deep SVDD method (Ruff et al., 2018) which we then generalize to the semi-supervised AD setting. ",
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+ "text": "3.1 UNSUPERVISED DEEP SVDD AND ENTROPY MINIMIZATION ",
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+ "text": "For input space $\\boldsymbol { \\mathcal { X } } \\subseteq \\mathbb { R } ^ { D }$ and output space $\\mathcal { Z } \\subseteq \\mathbb { R } ^ { d }$ , let $\\phi ( \\cdot ; \\mathcal { W } ) : \\mathcal { X } \\to \\mathcal { Z }$ be a neural network with $L$ hidden layers and corresponding set of weights ${ \\mathcal { W } } = \\{ W ^ { 1 } , \\ldots , W ^ { L } \\}$ . The objective of Deep SVDD is to train the neural network $\\phi$ to learn a transformation that minimizes the volume of a data-enclosing hypersphere in output space $\\mathcal { Z }$ centered on a predetermined point $^ c$ . Given $n$ (unlabeled) training samples $\\pmb { x } _ { 1 } , \\dots , \\pmb { x } _ { n } \\in \\pmb { \\chi } ^ { }$ , the One-Class Deep SVDD objective is ",
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+ "text": "$$\n\\operatorname* { m i n } _ { \\mathcal { W } } \\quad \\frac { 1 } { n } \\sum _ { i = 1 } ^ { n } \\| \\phi ( \\pmb { x } _ { i } ; \\mathcal { W } ) - \\pmb { c } \\| ^ { 2 } + \\frac { \\lambda } { 2 } \\sum _ { \\ell = 1 } ^ { L } \\| \\pmb { W } ^ { \\ell } \\| _ { F } ^ { 2 } , \\quad \\lambda > 0 .\n$$",
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+ "text": "Penalizing the mean squared distance of the mapped samples to the hypersphere center $^ c$ forces the network to extract those common factors of variation which are most stable within the dataset. As a consequence normal data points tend to get mapped near the hypersphere center, whereas anomalies are mapped further away (Ruff et al., 2018). The second term is a standard weight decay regularizer. ",
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+ "text": "Deep SVDD is optimized via SGD using backpropagation. For initialization, Ruff et al. (2018) first pre-train an autoencoder and then initialize the weights $\\mathcal { W }$ of the network $\\phi$ with the converged weights of the encoder. After initialization, the hypersphere center $^ c$ is set as the mean of the network outputs obtained from an initial forward pass of the data. Once the network is trained, the anomaly score for a test point $_ { \\textbf { \\em x } }$ is given by the distance from $\\phi ( { \\pmb x } ; \\mathcal { W } )$ to the center of the hypersphere: ",
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+ "text": "$$\ns ( \\pmb { x } ) = \\| \\phi ( \\pmb { x } ; \\mathcal { W } ) - \\pmb { c } \\| .\n$$",
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+ "text": "We now argue that Deep SVDD may not only be interpreted in geometric terms as minimum volume estimation (Scott & Nowak, 2006), but also in probabilistic terms as entropy minimization over the latent distribution. For a latent random variable $Z$ with covariance $\\Sigma$ , pdf $p ( z )$ , and support $\\mathcal { Z } \\subseteq \\mathbb { R } ^ { d }$ , we have the following bound on entropy ",
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+ "text": "$$\n\\mathcal { H } ( Z ) = \\mathbb { E } [ - \\log p ( Z ) ] = - \\int _ { \\mathcal { Z } } p ( z ) \\log p ( z ) { \\mathrm { d } } z \\leq \\frac { 1 } { 2 } \\log ( ( 2 \\pi e ) ^ { d } \\operatorname* { d e t } \\Sigma ) ,\n$$",
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+ "text": "which holds with equality iff $Z$ is jointly Gaussian (Cover & Thomas, 2012). Assuming the latent distribution $Z$ follows an isotropic Gaussian, $Z \\sim N ( \\pmb { \\mu } , \\sigma ^ { 2 } I )$ with $\\sigma > 0$ , we get ",
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+ "text": "$$\n\\mathcal { H } ( Z ) = \\frac { 1 } { 2 } \\log ( ( 2 \\pi e ) ^ { d } \\operatorname* { d e t } \\sigma ^ { 2 } I ) = \\frac { 1 } { 2 } \\log ( ( 2 \\pi e \\sigma ^ { 2 } ) ^ { d } \\cdot 1 ) = \\frac { d } { 2 } ( 1 + \\log ( 2 \\pi \\sigma ^ { 2 } ) ) \\propto \\log \\sigma ^ { 2 } ,\n$$",
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+ "text": ".e. for a fixed dimensionality $d$ , the entropy of $Z$ is proportional to its log-variance. ",
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+ "text": "Now observe that the Deep SVDD objective (3) (disregarding weight decay regularization) is equivalent to minimizing the empirical variance and thus minimizes an upper bound on the entropy of a latent Gaussian. Since the Deep SVDD network is pre-trained on an autoencoding objective that implicitly maximizes the mutual information $\\mathcal { T } ( X ; Z )$ (Vincent et al., 2008), we may interpret Deep SVDD as following the Infomax principle (2) with the additional “compactness” objective that the latent distribution should have minimal entropy. ",
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+ "text": "3.2 DEEP SAD ",
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+ "text": "We now introduce our method for deep semi-supervised anomaly detection: Deep $S A D$ . Assume that, in addition to the $n$ unlabeled samples $\\pmb { x } _ { 1 } , \\dots , \\pmb { x } _ { n } \\in \\pmb { \\mathcal { X } }$ with $\\boldsymbol { \\mathcal { X } } \\subseteq \\mathbb { R } ^ { D }$ , we also have access to $m$ labeled samples $( \\tilde { \\pmb { x } } _ { 1 } , \\tilde { y } _ { 1 } ) , \\dots , ( \\tilde { \\pmb { x } } _ { m } , \\tilde { y } _ { m } ) \\in \\mathcal { X } \\times \\mathcal { Y }$ with $\\mathcal { V } = \\{ - 1 , + 1 \\}$ where $\\tilde { y } = + 1$ denotes known normal samples and $\\tilde { y } ~ = ~ - 1$ known anomalies. We define our Deep $S A D$ objective as follows: ",
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+ "text": "$$\n\\operatorname* { m i n } _ { \\mathcal { W } } \\quad \\frac { 1 } { n + m } \\sum _ { i = 1 } ^ { n } \\| \\phi ( \\boldsymbol { x } _ { i } ; \\mathcal { W } ) - c \\| ^ { 2 } + \\frac { \\eta } { n + m } \\sum _ { j = 1 } ^ { m } \\left( \\| \\phi ( \\tilde { \\boldsymbol { x } } _ { j } ; \\mathcal { W } ) - c \\| ^ { 2 } \\right) ^ { \\tilde { y } _ { j } } + \\frac { \\lambda } { 2 } \\sum _ { \\ell = 1 } ^ { L } \\| \\boldsymbol { W } ^ { \\ell } \\| _ { F } ^ { 2 } .\n$$",
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+ "text": "We employ the same loss term as Deep SVDD for the unlabeled data in our Deep SAD objective and thus recover Deep SVDD (3) as the special case when there is no labeled training data available $( m = 0$ ). In doing this we also incorporate the assumption that most of the unlabeled data is normal. ",
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+ "text": "For the labeled data, we introduce a new loss term that is weighted via the hyperparameter $\\eta > 0$ which controls the balance between the labeled and the unlabeled term. Setting $\\eta > 1$ puts more emphasis on the labeled data whereas $\\eta < 1$ emphasizes the unlabeled data. For the labeled normal samples $\\tilde { y } = + 1 )$ ), we also impose a quadratic loss on the distances of the mapped points to the center $^ c$ , thus intending to overall learn a latent distribution which concentrates the normal data. Again, one might consider $\\eta > 1$ to emphasize labeled normal over unlabeled samples. For the labeled anomalies $( \\tilde { y } = - 1 )$ in contrast, we penalize the inverse of the distances such that anomalies must be mapped further away from the center.1 Note that this is in line with the common assumption that anomalies are not concentrated (Schölkopf & Smola, 2002; Steinwart et al., 2005). In our experiments we found that simply setting $\\eta = 1$ yields a consistent and substantial performance improvement. A sensitivity analysis on $\\eta$ is in Section 4.3. ",
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+ "text": "We define the Deep SAD anomaly score again by the distance of the mapped point to the center $c$ as given in Eq. (4) and optimize our Deep SAD objective (7) via SGD using backpropagation. We provide a summary of the Deep SAD optimization procedure and further details in Appendix C. ",
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+ "text": "In addition to the inverse squared norm loss we experimented with several other losses including the negative squared norm loss, negative robust losses, and the hinge loss. The negative squared norm loss, which is unbounded from below, resulted in an ill-posed optimization problem and caused optimization to diverge. Negative robust losses, such as the Hampel loss, introduce one or more scale parameters which are difficult to select or optimize in conjunction with the changing representation learned by the network. Like Ruff et al. (2018), we observed that the hinge loss was difficult to optimize and resulted in poorer performance. The inverse squared norm loss instead is bounded from below and smooth, which are crucial properties for losses used in deep learning (Goodfellow et al., 2016), and ultimately performed the best while remaining conceptually simple. ",
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+ "text": "Following our insights on the connection between Deep SVDD and entropy minimization from Section 3.1, we may interpret our Deep SAD objective as modeling the latent distribution of normal data, $Z ^ { + } ~ = ~ Z | \\{ Y = + 1 \\}$ , to have low entropy, and the latent distribution of anomalies, $Z ^ { - } = Z | \\{ Y = - 1 \\}$ , to have high entropy. Minimizing the distances to the center $^ c$ (i.e., minimizing the empirical variance) for the mapped points of labeled normal samples $( \\tilde { y } = + 1$ ) induces a latent distribution with low entropy for the normal data. In contrast, penalizing low variance via the inverse squared norm loss for the mapped points of labeled anomalies $\\tilde { y } = - 1$ ) induces a latent distribution with high entropy for the anomalous data. That is, the network must attempt to map known anomalies to some heavy-tailed distribution. We argue that such a model better captures the nature of anomalies, which can be thought of as being generated from an infinite mixture of distributions that are different from the normal data distribution, indubitably a distribution that has high entropy. Our objective notably does not impose any cluster assumption on the anomaly-generating distribution $X | \\{ Y = - 1 \\}$ as is typically made in supervised or semi-supervised classification approaches (Zhu, 2005; Chapelle et al., 2009). We can express this interpretation in terms of principle (2) with an entropy regularization objective on the latent distribution: ",
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+ "text": "$$\n\\begin{array} { r l } { \\underset { p ( z | x ) } { \\operatorname* { m a x } } } & { { } \\mathcal { T } ( X ; Z ) + \\beta ( \\mathcal { H } ( Z ^ { - } ) - \\mathcal { H } ( Z ^ { + } ) ) . } \\end{array}\n$$",
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+ "text": "To maximize the mutual information $\\mathcal { T } ( X ; Z )$ , Deep SAD also relies on autoencoder pre-training (Vincent et al., 2008; Ruff et al., 2018). ",
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+ "text": "4 EXPERIMENTS ",
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+ "text": "We evaluate Deep SAD on MNIST, Fashion-MNIST, and CIFAR-10 as well as on classic AD benchmark datasets. We compare to shallow, hybrid, as well as deep unsupervised, semi-supervised and supervised competitors. We refer to other recent works (Ruff et al., 2018; Golan & El-Yaniv, 2018; Hendrycks et al., 2019a) for further comparisons between unsupervised deep AD methods.2 ",
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+ "text": "4.1 COMPETING METHODS ",
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+ "text": "We consider the OC-SVM (Schölkopf et al., 2001) and SVDD (Tax & Duin, 2004) with Gaussian kernel (which in this case are equivalent), Isolation Forest (Liu et al., 2008), and KDE (Parzen, 1962) for shallow unsupervised baselines. For deep unsupervised competitors, we consider wellestablished (convolutional) autoencoders and the state-of-the-art unsupervised Deep SVDD method (Ruff et al., 2018). To avoid confusion, we note again that some literature (Song et al., 2017; Chalapathy & Chawla, 2019) refer to the methods above as being “semi-supervised” if they are trained on only labeled normal samples. For general semi-supervised AD approaches that also take advantage of labeled anomalies, we consider the state-of-the-art shallow SSAD method (Görnitz et al., 2013) with Gaussian kernel. As mentioned earlier, there are no deep competitors for general semisupervised AD that are applicable to general data types. To get a comprehensive comparison we therefore introduce a novel hybrid $S S A D$ baseline that applies SSAD to the latent codes of autoencoder models. Such hybrid methods have demonstrated solid performance improvements over their raw feature counterparts on high-dimensional data (Erfani et al., 2016; Nicolau et al., 2016). We also include such hybrid variants for all unsupervised shallow competitors. To also compare to a deep semi-supervised learning method that targets classification as the downstream task, we add the well-known Semi-Supervised Deep Generative Model (SS-DGM) (Kingma et al., 2014) where we use the latent class probability estimate (normal vs. anomalous) as the anomaly score. To complete the full learning spectrum, we also include a fully supervised deep classifier trained on the binary cross-entropy loss. ",
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+ "text": "In our experiments we deliberately grant the shallow and hybrid methods an unfair advantage by selecting their hyperparameters to maximize AUC on a subset $( 1 0 \\% )$ of the test set to minimize hyperparameter selection issues. To control for architectural effects between the deep methods, we always use the same (LeNet-type) deep networks. Full details on network architectures and hyperparameter selection can be found in Appendices D and E. Due to space constraints, in the main text we only report results for methods which showed competitive performance and defer results for the underperforming methods in Appendix F. ",
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+ "text": "4.2 EXPERIMENTAL SCENARIOS ON MNIST, FASHION-MNIST, AND CIFAR-10 ",
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+ "text": "Semi-supervised anomaly detection setup MNIST, Fashion-MNIST, and CIFAR-10 all have ten classes from which we derive ten AD setups on each dataset following previous works (Ruff et al., 2018; Chalapathy et al., 2018; Golan & El-Yaniv, 2018). In every setup, we set one of the ten classes to be the normal class and let the remaining nine classes represent anomalies. We use the original training data of the respective normal class as the unlabeled part of our training set. Thus we start with a clean AD setting that fulfills the assumption that most (in this case all) unlabeled samples are normal. The training data of the respective nine anomaly classes then forms the data pool from which we draw anomalies for training to create different scenarios. We compute the commonly used AUC measure on the original respective test sets using ground truth labels to make a quantitative comparison, i.e. $\\tilde { y } = + 1$ for the normal class and $\\tilde { y } = - 1$ for the respective nine anomaly classes. We rescale pixels to $[ 0 , 1 ]$ via min-max feature scaling as the only data pre-processing step. ",
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+ "text": "Experimental scenarios We examine three scenarios in which we vary the following three experimental parameters: (i) the ratio of labeled training data $\\gamma _ { l }$ , (ii) the ratio of pollution $\\gamma _ { p }$ in the unlabeled training data with (unknown) anomalies, and (iii) the number of anomaly classes $k _ { l }$ included in the labeled training data. ",
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+ "text": "(i) Adding labeled anomalies In this scenario, we investigate the effect that including labeled anomalies during training has on detection performance to see the benefit of a general semisupervised AD approach over other paradigms. To do this we increase the ratio of labeled training data $\\gamma _ { l } = m / ( n \\bar { + } \\dot { m } )$ by adding more and more known anomalies $\\tilde { \\pmb { x } } _ { 1 } , \\ldots , \\tilde { \\pmb { x } } _ { m }$ with $\\tilde { y } _ { j } = - 1$ to the training set. The labeled anomalies are sampled from one of the nine anomaly classes $k _ { l } = 1 \\AA$ ). For testing, we then consider all nine remaining classes as anomalies, i.e. there are eight novel classes at testing time. We do this to simulate the unpredictable nature of anomalies. For the unlabeled part of the training set, we keep the training data of the respective normal class, which we leave unpolluted in this experimental setup, i.e. $\\gamma _ { p } = 0$ . We iterate this training set generation process per AD setup always over all the nine respective anomaly classes and report the average results over the ten AD setups $\\times$ nine anomaly classes, i.e. over 90 experiments per labeled ratio $\\gamma _ { l }$ . ",
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+ "text": "(ii) Polluted training data Here we investigate the robustness of the different methods to an increasing pollution ratio $\\gamma _ { p }$ of the training set with unlabeled anomalies. To do so we pollute the unlabeled part of the training set with anomalies drawn from all nine respective anomaly classes in each AD setup. We fix the ratio of labeled training samples at $\\gamma _ { l } = 0 . 0 5$ where we again draw samples only from $k _ { l } = 1$ anomaly class in this scenario. We repeat this training set generation process per AD setup over all the nine respective anomaly classes and report the average results over the resulting 90 experiments per pollution ratio $\\gamma _ { p }$ . We hypothesize that learning from labeled anomalies in a semi-supervised AD approach alleviates the negative impact pollution has on detection performance since similar unknown anomalies in the unlabeled data might be detected. ",
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+ "text": "(iii) Number of known anomaly classes In the last scenario, we compare the detection performance at various numbers of known anomaly classes. In scenarios (i) and (ii), we always sample labeled anomalies only from one out of the nine anomaly classes $k _ { l } = 1 \\AA$ ). In this scenario, we now increase the number of anomaly classes $k _ { l }$ included in the labeled part of the training set. Since we have a limited number of anomaly classes (nine) in each AD setup, we expect the supervised classifier to catch up at some point. We fix the overall ratio of labeled training examples again at $\\gamma _ { l } = 0 . 0 5$ and consider a pollution ratio of $\\gamma _ { p } = 0 . 1$ for the unlabeled training data in this scenario. We repeat this training set generation process for ten seeds in each of the ten AD setups and report the average results over the resulting 100 experiments per number $k _ { l }$ . For each seed, the $k _ { l }$ classes are drawn uniformly at random from the nine respective anomaly classes. ",
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+ "Figure 2: Results of scenario (i), where we increase the ratio of labeled anomalies $\\gamma _ { l }$ in the training set. We report avg. AUC with st. dev. over 90 experiments at various ratios $\\gamma _ { l }$ . A $\" \\star \"$ indicates a statistically significant $\\alpha = 0 . 0 5$ ) difference between the $1 ^ { \\mathrm { s t } }$ and $2 ^ { \\mathrm { n d } }$ best method. "
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+ "text": "Results The results of scenarios (i)–(iii) are shown in Figures 2–4. In addition to the avg. AUC with st. dev., we report the outcome of Wilcoxon signed-rank tests (Wilcoxon, 1945) applied to the first and second best performing method to indicate statistically significant $\\alpha = 0 . 0 5$ ) differences in performance. Figure 2 demonstrates the benefit of our semi-supervised approach to AD especially on the most complex CIFAR-10 dataset, where Deep SAD performs best. Figure 2 moreover confirms that a supervised classification approach is vulnerable to novel anomalies at testing time when only little labeled training data is available. In comparison, Deep SAD generalizes to novel anomalies while also taking advantage of the labeled examples. Note that our novel hybrid SSAD baseline also performs well. Figure 3 shows that the detection performance of all methods decreases with increasing data pollution. Deep SAD proves to be most robust again especially on CIFAR-10. Finally, Figure 4 shows that the more diverse the labeled anomalies in the training set, the better the detection performance becomes. We can again see that the supervised method is very sensitive to the number of anomaly classes but catches up at some point as suspected. This does not occur with CIFAR-10, however, where $\\gamma _ { l } = 0 . 0 5$ labeled training samples seems to be insufficient for classification. Overall, we see that Deep SAD is particularly beneficial on the more complex data. ",
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+ "Figure 3: Results of scenario (ii), where we pollute the unlabeled part of the training set with (unknown) anomalies. We report avg. AUC with st. dev. over 90 experiments at various ratios $\\gamma _ { p }$ . A $\\cdot _ { \\star } \\vec { \\mathbf { \\nabla } }$ indicates a statistically significant $\\alpha = 0 . 0 5$ ) difference between the $1 ^ { \\mathrm { s t } }$ and $2 ^ { \\mathrm { n d } }$ best method. "
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+ "Figure 4: Results of scenario (iii), where we increase the number of anomaly classes $k _ { l }$ included in the labeled training data. We report avg. AUC with st. dev. over 100 experiments for various $k _ { l }$ . A $\" \\star \"$ indicates a statistically significant $\\alpha = 0 . 0 5$ ) difference between the $1 ^ { \\mathrm { s t } }$ and $2 ^ { \\mathrm { n d } }$ best method. "
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+ "text": "4.3 SENSITIVITY ANALYSIS ",
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+ "text": "We run Deep SAD experiments on the ten AD setups described above on each dataset for $\\eta \\in$ $\\{ 1 0 ^ { - 2 } , \\ldots , 1 0 ^ { 2 } \\}$ to analyze the sensitivity of Deep SAD with respect to the hyperparameter $\\eta > 0$ . In this analysis, we set the experimental parameters to their default, $\\gamma _ { l } = 0 . 0 5$ , $\\gamma _ { p } = 0 . 1$ , and $k _ { l } = 1$ , and again iterate over all nine anomaly classes in every AD setup. The results shown in Figure 5 suggest that Deep SAD is fairly robust against changes of the hyperparameter $\\eta$ . ",
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+ "text": "In addition, we run experiments under the same experimental settings while varying the dimension $d \\ \\in \\ \\{ 2 ^ { 4 } , \\dots , 2 ^ { 9 } \\}$ of the output space $\\mathcal { Z } \\subseteq \\mathbb { R } ^ { d }$ to infer the sensitivity of Deep SAD with respect to the representation dimensionality, where we keep $\\eta = 1$ . The results are given in Figure 6 in Appendix A. There we also com",
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+ "Figure 5: Deep SAD sensitivity analysis w.r.t. $\\eta$ We report avg. AUC with st. dev. over 90 experiments for various values of hyperparameter $\\eta$ . "
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+ "text": "pare to our hybrid SSAD baseline, which was the strongest competitor. Interestingly we observe that detection performance increases with dimension $d$ , converging to an upper bound in performance. This suggests that one would want to set $d$ large enough to have sufficiently high mutual information $\\mathcal { T } ( X ; Z )$ before compressing to a compact characterization. ",
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+ "text": "4.4 CLASSIC ANOMALY DETECTION BENCHMARK DATASETS ",
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+ "text": "In a final experiment, we also examine the detection performance of the various methods on some well-established AD benchmark datasets (Rayana, 2016). We run these experiments to evaluate the deep versus the shallow approaches on non-image datasets that are rarely considered in deep AD literature. Here we observe that the shallow kernel methods seem to have a slight edge on the relatively small, low-dimensional benchmarks. Nonetheless, Deep SAD proves competitive and the small differences observed might be explained by the advantage we grant the shallow methods in their hyperparameter selection. We give the full details and results in Appendix B. ",
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+ "text": "Our results and other recent works (Ruff et al., 2018; Golan & El-Yaniv, 2018; Hendrycks et al., 2019a) overall demonstrate that deep methods are especially superior on complex data with hierarchical structure. Unlike other deep approaches (Ergen et al., 2017; Kiran et al., 2018; Min et al., 2018; Deecke et al., 2018; Golan & El-Yaniv, 2018), however, our Deep SAD method is not domain or data-type specific. Due to its good performance using both deep and shallow networks we expect Deep SAD to extend well to other data types. ",
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+ "text": "5 CONCLUSION AND FUTURE WORK ",
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+ "text": "In this work we introduced Deep SAD, a deep method for general semi-supervised anomaly detection. Our method is a generalization of the unsupervised Deep SVDD method (Ruff et al., 2018) to the semi-supervised setting. The results of our experimental evaluation suggest that general semisupervised anomaly detection should always be preferred whenever some labeled information on both normal samples or anomalies is available. ",
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+ "text": "Moreover, we formulated an information-theoretic framework for deep anomaly detection based on the Infomax principle. Using this framework, we interpreted our method as minimizing the entropy of the latent distribution for normal data and maximizing the entropy of the latent distribution for anomalous data. We introduced this framework with the aim of forming a basis for new methods as well as rigorous theoretical analyses in the future, e.g. studying deep anomaly detection under the rate-distortion curve (Alemi et al., 2018). ",
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+ "text": "ACKNOWLEDGMENTS ",
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+ "text": "LR acknowledges support by the German Ministry of Education and Research (BMBF) in the project ALICE III (01IS18049B). MK and RV acknowledge support by the German Research Foundation (DFG) award KL 2698/2-1 and by the German Ministry of Education and Research (BMBF) awards 031L0023A, 01IS18051A, and 031B0770E. AB is grateful for support by the National Research Foundation of Singapore, STEE-SUTD Cyber Security Laboratory, and the Ministry of Education, Singapore, under its program MOE2016-T2-2-154. NG acknowledges support by the German Ministry of Education and Research (BMBF) through the Berlin Center for Machine Learning (01IS18037I). KRM acknowledges partial financial support by the German Ministry of Education and Research (BMBF) under grants 01IS14013A-E, 01IS18025A, 01IS18037A, 01GQ1115 and 01GQ0850; Deutsche Forschungsgesellschaft (DFG) under grant Math+, EXC 2046/1, project-ID 390685689, and by the Technology Promotion (IITP) grant funded by the Korea government (No. 2017-0-00451, No. 2017-0-01779). ",
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+ "text": "A.1 SENSITIVITY ANALYSIS W.R.T REPRESENTATION DIMENSIONALITY ",
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+ "image_caption": [
+ "Figure 6: Sensitivity analysis w.r.t. the network representation dimensionality $d$ for our Deep SAD method and the closest competitor hybrid SSAD. We report avg. AUC with st. dev. over 90 experiments for various values of $d$ . "
+ ],
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+ "text": "A.2 AUC SCATTERPLOTS OF BEST VS. SECOND BEST METHODS ON CIFAR-10 ",
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+ "text": "We provide AUC scatterplots in Figures 7–9 of the best $( 1 ^ { \\mathrm { s t } } )$ vs. second best $( 2 ^ { \\mathrm { n d } } )$ performing methods in the experimental scenarios (i)–(iii) on the most complex CIFAR-10 dataset. If most points fall above the identity line, this is a very strong indication that the best method indeed significantly outperforms the second best, which often is the case for our Deep SAD method. ",
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+ "img_path": "images/9403cd0c598271c54ceff11f270616b78afaee33e58abc542411d1856bb0e1f9.jpg",
+ "image_caption": [
+ "Figure 7: AUC scatterplots of best $( 1 ^ { \\mathrm { s t } } )$ vs. second best $( 2 ^ { \\mathrm { n d } } )$ performing methods in experimental scenario (i) on CIFAR-10, where we increase the ratio of labeled anomalies $\\gamma _ { l }$ in the training set. "
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+ "img_path": "images/cb77ea14cda51fd3e24cdbc43d07eec56ab80c71a52f9daaf32dbcd29044a11e.jpg",
+ "image_caption": [
+ "Figure 8: AUC scatterplots of best $( 1 ^ { \\mathrm { s t } } )$ vs. second best $( 2 ^ { \\mathrm { n d } } )$ performing methods in experimental scenario (ii) on CIFAR-10, where we pollute the unlabeled part of the training set with (unknown) anomalies at various ratios $\\gamma _ { p }$ . "
+ ],
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+ {
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+ "img_path": "images/bd99c8ef9a36fc4da2f4d83426b7d9bbf7398cb08af547eb554baa3b35194a0f.jpg",
+ "image_caption": [
+ "Figure 9: AUC scatterplots of best $( 1 ^ { \\mathrm { s t } } )$ vs. second best $( 2 ^ { \\mathrm { n d } } )$ performing methods in experimental scenario (iii) on CIFAR-10, where we increase the number of anomaly classes $k _ { l }$ included in the labeled training data. "
+ ],
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+ {
+ "type": "text",
+ "text": "B RESULTS ON CLASSIC ANOMALY DETECTION BENCHMARK DATASETS ",
+ "text_level": 1,
+ "bbox": [
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+ "type": "text",
+ "text": "In this experiment, we examine the detection performance on some well-established AD benchmark datasets (Rayana, 2016) listed in Table 1. We do this to evaluate the deep against the shallow approaches also on non-image, tabular datasets that are rarely considered in the deep AD literature. For the evaluation, we consider random train-to-test set splits of 60:40 while maintaining the original proportion of anomalies in each set. We then run experiments for 10 seeds with $\\gamma _ { l } = 0 . 0 1$ and $\\gamma _ { p } = 0$ , i.e. $1 \\%$ of the training set are labeled anomalies and the ",
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+ {
+ "type": "table",
+ "img_path": "images/dc3b32057a9e3b5ad2b9abea53ac03b32fc2dfb9b8fc66c6e0eb01da3b9fc5de.jpg",
+ "table_caption": [
+ "Table 1: Anomaly detection benchmarks. "
+ ],
+ "table_footnote": [],
+ "table_body": "| Dataset | N | D | #outliers (%) |
| arrhythmia | 452 | 274 | 66 (14.6%) |
| cardio | 1,831 | 21 | 176 (9.6%) |
| satellite | 6,435 | 36 | 2,036 (31.6%) |
| satimage-2 | 5,803 | 36 | 71 (1.2%) |
| shuttle | 49,097 | 9 | 3,511 (7.2%) |
| thyroid | 3,772 | 6 | 93 (2.5%) |
",
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+ {
+ "type": "text",
+ "text": "unlabeled training data is unpolluted. Since there are no specific different anomaly classes in these datasets, we have $k _ { l } = 1$ . We standardize features to have zero mean and unit variance as the only pre-processing step. ",
+ "bbox": [
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+ },
+ {
+ "type": "text",
+ "text": "Table 2 shows the results of the competitive methods. We observe that the shallow kernel methods seem to perform slightly better on the rather small, low-dimensional benchmarks. Deep SAD proves competitive though and the small differences might be explained by the strong advantage we grant the shallow methods in the selection of their hyperparameters. We provide the complete table with the results from all methods in Appendix F ",
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+ "type": "table",
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+ "Table 2: Results on classic AD benchmark datasets in the setting with no pollution $\\gamma _ { p } = 0$ and a ratio of labeled anomalies of $\\gamma _ { l } = 0 . 0 1$ in the training set. We report avg. AUC with st. dev. computed over 10 seeds. A $\" \\star \"$ indicates a statistically significant $\\alpha = 0 . 0 5$ ) difference between $1 ^ { \\mathrm { s t } }$ and $2 ^ { \\mathrm { n d } }$ . "
+ ],
+ "table_footnote": [],
+ "table_body": "| Dataset | OC-SVM Raw | OC-SVM Hybrid | Deep SVDD | SSAD Raw | SSAD Hybrid | Supervised Classifier | Deep SAD |
| arrhythmia | 84.5±3.9 | 76.7±6.2 | 74.6±9.0 | 86.7±4.0* | 78.3±5.1 | 39.2±9.5 | 75.9±8.7 |
| cardio | 98.5±0.3 | 82.8±9.3 | 84.8±3.6 | 98.8±0.3 | 86.3±5.8 | 83.2±9.6 | 95.0±1.6 |
| satellite | 95.1±0.2 | 68.6±4.8 | 79.8±4.1 | 96.2±0.3* | 86.9±2.8 | 87.2±2.1 | 91.5±1.1 |
| satimage-2 | 99.4±0.8 | 96.7±2.1 | 98.3±1.4 | 99.9±0.1 | 96.8±2.1 | 99.9±0.1 | 99.9±0.1 |
| shuttle | 99.4±0.9 | 94.1±9.5 | 86.3±7.5 | 99.6±0.5 | 97.7±1.0 | 95.1±8.0 | 98.4±0.9 |
| thyroid | 98.3±0.9 | 91.2±4.0 | 72.0±9.7 | 97.9±1.9 | 95.3±3.1 | 97.8±2.6 | 98.6±0.9 |
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+ "type": "text",
+ "text": "C OPTIMIZATION OF DEEP SAD ",
+ "text_level": 1,
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+ "text": "Our Deep SAD objective (7) is generally non-convex in the network weights $\\mathcal { W }$ which usually is the case in deep learning. For a computationally efficient optimization, we rely on (mini-batch) SGD to optimize the network weights using backpropagation. For improved generalization, we add $L ^ { 2 }$ weight decay regularization with hyperparameter $\\lambda > 0$ to the objective. Algorithm 1 summarizes the Deep SAD optimization routine. ",
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+ "text": "Algorithm 1 Optimization of Deep SAD ",
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+ "text": "Unlabeled data: $\\pmb { x } _ { 1 } , \\ldots , \\pmb { x } _ { n }$ \nLabeled data: $( \\pmb { x } _ { 1 } ^ { \\prime } , \\pmb { y } _ { 1 } ^ { \\prime } ) , \\dots , ( \\pmb { x } _ { m } ^ { \\prime } , \\pmb { y } _ { m } ^ { \\prime } )$ \nHyperparameters: $\\eta , \\lambda$ \nSGD learning rate: $\\varepsilon$ ",
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+ {
+ "type": "text",
+ "text": "Output: Trained model: $\\mathcal { W } ^ { \\ast }$ ",
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+ "type": "text",
+ "text": "1: Initialize: Neural network weights: $\\mathcal { W }$ Hypersphere center: $^ c$ ",
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+ "text": "2: for each epoch do \n3: for each mini-batch do \n4: Draw mini-batch $\\boldsymbol { B }$ \n5: $\\mathcal { W } \\mathcal { W } - \\varepsilon \\cdot \\nabla \\mathcal { w } J ( \\mathcal { W } ; \\mathcal { B } )$ \n6: end for \n7: end for ",
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+ "type": "text",
+ "text": "Using SGD allows Deep SAD to scale with large datasets as the computational complexity scales linearly in the number of training batches and computations in each batch can be parallelized (e.g., by training on GPUs). Moreover, Deep SAD has low memory complexity as a trained model is fully characterized by the final network parameters $\\mathcal { W } ^ { \\ast }$ and no data must be saved or referenced for prediction. Instead, the prediction only requires a forward pass on the network which usually is just a concatenation of simple functions. This enables fast predictions for Deep SAD. ",
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+ },
+ {
+ "type": "text",
+ "text": "Initialization of the network weights $\\mathcal { W }$ We establish an autoencoder pre-training routine for initialization. That is, we first train an autoencoder that has an encoder with the same architecture as network $\\phi$ on the reconstruction loss (mean squared error or cross-entropy). After training, we then initialize $\\mathcal { W }$ with the converged parameters of the encoder. Note that this is in line with the Infomax principle (2) for unsupervised representation learning (Vincent et al., 2008). ",
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+ "type": "text",
+ "text": "Initialization of the center $^ c$ After initializing the network weights $\\mathcal { W }$ , we fix the hypersphere center $^ c$ as the mean of the network representations that we obtain from an initial forward pass on the data (excluding labeled anomalies). We found SGD convergence to be smoother and faster by fixing center $^ c$ in the neighborhood of the initial data representations as also observed by Ruff et al. (2018). If sufficiently many labeled normal examples are available, using only those examples for a mean initialization would be another strategy to minimize possible distortions from polluted unlabeled training data. Adding center $^ c$ as a free optimization variable would allow a trivial “hypersphere collapse” solution for the fully unlabeled setting, i.e. for unsupervised Deep SVDD. ",
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+ "text": "Preventing a hypersphere collapse A “hypersphere collapse” describes the trivial solution that neural network $\\phi$ converges to the constant function $\\phi \\equiv c$ , i.e. the hypersphere collapses to a single point. Ruff et al. (2018) demonstrate theoretical network properties that prevent such a collapse which we adopt for Deep SAD. Most importantly, network $\\phi$ must have no bias terms and no bounded activation functions. We refer to Ruff et al. (2018) for further details. If there are sufficiently many labeled anomalies available for training, however, hypersphere collapse is not a problem for Deep SAD due to the opposing labeled and unlabeled objectives. ",
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+ "text": "D NETWORK ARCHITECTURES ",
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+ "text": "We employ LeNet-type convolutional neural networks (CNNs) on MNIST, Fashion-MNIST, and CIFAR-10, where each convolutional module consists of a convolutional layer followed by leaky ReLU activations with leakiness $\\alpha = 0 . 1$ and $( 2 \\times 2 )$ -max-pooling. On MNIST, we employ a CNN with two modules, $8 \\times ( 5 \\times 5 )$ -filters followed by $4 \\times ( 5 \\times 5 )$ -filters, and a final dense layer of 32 units. On Fashion-MNIST, we employ a CNN also with two modules, $1 6 \\times ( 5 \\times 5 )$ -filters and $3 2 \\times ( 5 \\times 5 )$ - filters, followed by two dense layers of 64 and 32 units respectively. On CIFAR-10, we employ a CNN with three modules, $3 2 \\times ( 5 \\times 5 )$ -filters, $6 4 \\times ( 5 \\times 5 )$ -filters, and $1 2 8 \\times ( 5 \\times 5 )$ -filters, followed by a final dense layer of 128 units. ",
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+ "text": "On the classic AD benchmark datasets, we employ standard MLP feed-forward architectures. On arrhythmia, a 3-layer MLP with 128-64-32 units. On cardio, satellite, satimage-2, and shuttle a 3-layer MLP with 32-16-8 units. On thyroid a 3-layer MLP with 32-16-4 units. ",
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+ "type": "text",
+ "text": "For the (convolutional) autoencoders, we always employ the above architectures for the encoder networks and then construct the decoder networks symmetrically, where we replace max-pooling with simple upsampling and convolutions with deconvolutions. ",
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+ {
+ "type": "text",
+ "text": "E DETAILS ON COMPETING METHODS ",
+ "text_level": 1,
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+ "text": "OC-SVM/SVDD The OC-SVM and SVDD are equivalent for the Gaussian/RBF kernel we employ. As mentioned in the main paper, we deliberately grant the OC-SVM/SVDD an unfair advantage by selecting its hyperparameters to maximize AUC on a subset $( 1 0 \\% )$ of the test set to establish a strong baseline. To do this, we consider the RBF scale parameter $\\gamma \\in \\{ 2 ^ { - 7 } , 2 ^ { - 6 } , \\dots 2 ^ { 2 } \\}$ and select the best performing one. Moreover, we always repeat this over $\\nu$ -parameter $\\nu \\in$ $\\{ 0 . 0 1 , 0 . 0 5 , 0 . 1 , 0 . 2 , \\bar { 0 } . 5 \\}$ and then report the best final result. ",
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+ "text": "Isolation Forest $\\mathbf { \\Pi } ^ { ( \\mathbf { I I F } ) }$ We set the number of trees to $t = 1 0 0$ and the sub-sampling size to $\\psi = 2 5 6$ as recommended in the original work (Liu et al., 2008). ",
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+ "text": "Kernel Density Estimator (KDE) We select the bandwidth $h$ of the Gaussian kernel from $h \\in$ $\\{ 2 ^ { 0 . 5 } , 2 ^ { 1 } , \\dots , \\bar { 2 } ^ { 5 } \\}$ via 5-fold cross-validation using the log-likelihood score following (Ruff et al., 2018). ",
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+ "text": "SSAD We also deliberately grant the state-of-the-art semi-supervised AD kernel method SSAD the unfair advantage of selecting its hyperparameters optimally to maximize AUC on a subset $( 1 0 \\% )$ of the test set. To do this, we again select the scale parameter $\\gamma$ of the RBF kernel we use from $\\gamma \\in \\{ 2 ^ { - 7 } , 2 ^ { - 6 } , \\dots 2 ^ { 2 } \\}$ and select the best performing one. Otherwise we set the hyperparameters as recommend by the original authors to $\\kappa = 1$ , $\\kappa = 1$ , $\\eta _ { u } = 1$ , and $\\eta _ { l } = 1$ (Görnitz et al., 2013). ",
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+ "text": "(Convolutional) Autoencoder ((C)AE) To create the (convolutional) autoencoders, we symmetrically construct the decoders w.r.t. the architectures reported in Appenidx D, which make up the encoder parts of the autoencoders. Here, we replace max-pooling with simple upsampling and convolutions with deconvolutions. We train the autoencoders on the MSE reconstruction loss that also serves as the anomaly score. ",
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+ "text": "Hybrid Variants To establish hybrid methods, we apply the OC-SVM, IF, KDE, and SSAD as outlined above to the resulting bottleneck representations given by the respective converged autoencoders. ",
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+ "text": "Unsupervised Deep SVDD We consider both variants, Soft-Boundary Deep SVDD and One-Class Deep SVDD as unsupervised baselines and always report the better performance as the unsupervised result. For Soft-Boundary Deep SVDD, we optimally solve for the radius $R$ on every mini-batch and run experiments for $\\nu \\in \\{ 0 . 0 1 , 0 . 1 \\}$ . We set the weight decay hyperparameter to $\\lambda = 1 0 ^ { - 6 }$ . Fo r Deep SVDD, we always remove all the bias terms from a network to prevent a hypersphere collapse as recommended by the authors in the original work (Ruff et al., 2018). ",
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+ "text": "Deep SAD We set $\\lambda = 1 0 ^ { - 6 }$ and equally weight the unlabeled and labeled examples by setting $\\eta = 1$ if not reported otherwise. ",
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+ "text": "SS-DGM We consider both the M2 and $\\mathbf { M } 1 { + } \\mathbf { M } 2$ model and always report the better performing result. Otherwise we follow the settings as recommended in the original work (Kingma et al., 2014). ",
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+ "type": "text",
+ "text": "Note that we use the latent class probability estimate (normal vs. anomalous) of semi-supervised DGM as a natural choice for the anomaly score, and not the reconstruction error as used for unsupervised autoencoding models such as the (convolutional) autoencoder we consider. Such deep semi-supervised models designed for classification as the downstream task have no notion of outof-distribution and again implicitly make the cluster assumption (Zhu, 2005; Chapelle et al., 2009) we refer to. Thus, semi-supervised DGM also suffers from overfitting to previously seen anomalies at training similar to the supervised model which explains its bad AD performance. ",
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+ "text": "Supervised Deep Binary Classifier To interpret AD as a binary classification problem, we rely on the typical assumption that most of the unlabeled training data is normal by assigning $y = + 1$ to all unlabeled examples. Already labeled normal examples and labeled anomalies retain their assigned labels of $\\tilde { y } = + 1$ and $\\tilde { y } = - 1$ respectively. We train the supervised classifier on the binary crossentropy loss. Note that in scenario (i), in particular, the supervised classifier has perfect, unpolluted label information but still fails to generalize as there are novel anomaly classes at testing. ",
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+ "text": "SGD Optimization Details for Deep Methods We use the Adam optimizer with recommended default hyperparameters (Kingma & Ba, 2015) and apply Batch Normalization (Ioffe & Szegedy, 2015) in SGD optimization. For all deep approaches and on all datasets, we employ a two-phase (“searching” and “fine-tuning”) learning rate schedule. In the searching phase we first train with a learning rate $\\varepsilon = 1 0 ^ { - 4 }$ for 50 epochs. In the fine-tuning phase we train with $\\varepsilon = 1 0 ^ { - 5 }$ for another 100 epochs. We always use a batch size of 200. For the autoencoder, SS-DGM, and the supervised classifier, we initialize the network with uniform Glorot weights (Glorot & Bengio, 2010). For Deep SVDD and Deep SAD, we establish an unsupervised pre-training routine via autoencoder as explained in Appendix C, where we set the network $\\phi$ to be the encoder of the autoencoder that we train beforehand. ",
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+ "type": "text",
+ "text": "F COMPLETE TABLES OF EXPERIMENTAL RESULTS ",
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+ "text": "The following Tables 3–6 list the complete experimental results of all the methods in all our experiments. ",
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+ "table_caption": [
+ "Table 3 : Complete results of experimental scenario (i) , where we increase the ratio of labeled anomalies $\\gamma _ { l }$ in the training set. We report the avg. AUC with st. dev. computed over 90 experiments at various ratios $\\gamma _ { l }$ "
+ ],
+ "table_footnote": [],
+ "table_body": "| Data | 2 | OC-SVM Raw | OC-SVM Hybrid | IF Raw | IF Hybrid | KDE Raw | KDE Hybrid | CAE | Deep SVDD | SSAD | SSAD Hybrid | SS-DGM | Deep SAD | Supervised Classifier |
| Raw |
| MNIST | .00 | 96.0±2.9 | 96.3±2.5 | 85.4±8.7 | 90.5±5.3 | 95.0±3.3 | 87.8±5.6 | 92.9±5.7 | 92.8±4.9 | 96.0±2.9 96.6±2.4 | 96.3±2.5 96.8±2.3 | | 92.8±4.9 | |
| .01 | | | | | | | | | 93.3±3.6 | 97.4±2.0 | 89.9±9.2 92.2±5.6 | 96.4±2.7 96.7±2.4 | 92.8±5.5 |
| .05 | | | | | | | | | 90.7±4.4 | 97.6±1.7 | 91.6±5.5 | 96.9±2.3 | 94.5±4.6 |
| .10 | | | | | | | | | 87.2±5.6 | 97.8±1.5 | 91.2±5.6 | 96.9±2.4 | 95.0±4.7 |
| .20 | | | | | 92.0±4.9 | 69.7±14.4 | 90.2±5.8 | | | | | | 95.6±4.4 |
| .00 | 92.8±4.7 | 91.2±4.7 | 91.6±5.5 | 82.5±8.1 | | | | 89.2±6.2 | 92.8±4.7 92.1±5.0 | 91.2±4.7 89.4±6.0 | 65.1±16.3 | 89.2±6.2 90.0±6.4 | 74.4±13.6 |
| CIFAR-10 | .01 .05 | | | | | | | | | 88.3±6.2 | 90.5±5.9 | 71.4±12.7 | 90.5±6.5 | 76.8±13.2 |
| .10 | | | | | | | | | 85.5±7.1 | 91.0±5.6 | 72.9±12.2 | 91.3±6.0 | 79.0±12.3 |
| .20 | | | | | | | | | 82.0±8.0 | 89.7±6.6 | 74.7±13.5 | 91.0±5.5 | 81.4±12.0 |
| .00 | 62.0±10.6 | 63.8±9.0 | 60.0±10.0 | 59.9±6.7 | 59.9±11.7 | 56.1±10.2 | 56.2±13.2 | 60.9±9.4 | 62.0±10.6 | 63.8±9.0 | | 60.9±9.4 | |
| | | | | | | | | 73.0±8.0 | 70.5±8.3 | 49.7±1.7 | 72.6±7.4 | 55.6±5.0 |
| .01 .05 | | | | | | | | | 71.5±8.1 | 73.3±8.4 | 50.8±4.7 | 77.9±7.2 | 63.5±8.0 |
| .10 | | | | | | | | | 70.1±8.1 | 74.0±8.1 | 52.0±5.5 | 79.8±7.1 | 67.7±9.6 |
| .20 | | | | | | | | | 67.4±8.8 | 74.5±8.0 | 53.2±6.7 | 81.9±7.0 | 80.5±5.9 |
| | | | | | | | | | | | | |
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+ "table_caption": [
+ "Table 4 : Complete results of experimental scenario (ii) , where we pollute the unlabeled part of the training set with (unknown) anomalies . We report the avg. AUC with st. dev. computed over 90 experiments at various ratios $\\gamma _ { p }$ "
+ ],
+ "table_footnote": [],
+ "table_body": "| Data | Yp | OC-SVM Raw | OC-SVM Hybrid | IF Raw | IF Hybrid | KDE Raw | KDE Hybrid | CAE | Deep SVDD | SSAD Raw | SSAD Hybrid | SS-DGM | Deep SAD | Supervised Classifier |
| MNIST | .00 .01 | 96.0±2.9 | 96.3±2.5 | 85.4±8.7 | 90.5±5.3 | 95.0±3.3 | 87.8±5.6 | 92.9±5.7 | 92.8±4.9 | 97.9±1.8 | 97.4±2.0 | 92.2±5.6 | 96.7±2.4 | 94.5±4.6 |
| | 94.3±3.9 | 95.6±2.5 | 85.2±8.8 | 90.6±5.0 | 91.2±4.9 | 87.9±5.3 | 91.3±6.1 | 92.1±5.1 | 96.6±2.4 | 95.2±2.3 | 92.0±6.0 | 95.5±3.3 | 91.5±5.9 |
| .05 | | 91.4±5.2 | 93.8±3.9 | 83.9±9.2 | 89.7±6.0 | 85.5±7.1 | 87.3±7.0 | 87.2±7.1 | 89.4±5.8 | 93.4±3.4 | 89.5±3.9 | 91.0±6.9 | 93.5±4.1 | 86.7±7.4 |
| .10 | 88.8±6.0 | 91.4±5.1 | 82.3±9.5 | 88.2±6.5 | 82.1±8.5 | 85.9±6.6 | 83.7±8.4 | 86.5±6.8 | 90.7±4.4 | 86.0±4.6 | 89.7±7.5 | 91.2±4.9 | 83.6±8.2 |
| .20 | 84.1±7.6 | 85.9±7.6 | 78.7±10.5 | 85.3±7.9 | 77.4±10.9 | 82.6±8.6 | 78.6±10.3 | 81.5±8.4 | 87.4±5.6 | 82.1±5.4 | 87.4±8.6 | 86.6±6.6 | 79.7±9.4 |
| F-MNIST | .00 | 92.8±4.7 | 91.2±4.7 | 91.6±5.5 | 82.5±8.1 | 92.0±4.9 | 69.7±14.4 | 90.2±5.8 | 89.2±6.2 | 94.0±4.4 | 90.5±5.9 | 71.4±12.7 | 90.5±6.5 | 76.8±13.2 |
| | 91.7±5.0 | 91.5±4.6 | 91.5±5.5 | 84.9±7.2 | 89.4±6.3 | 73.9±12.4 | 87.1±7.3 | 86.3±6.3 | 92.2±4.9 | 87.8±6.1 | 71.2±14.3 | 87.2±7.1 | 67.3±8.1 |
| .01 .05 | 90.7±5.5 | 90.7±4.9 | 90.9±5.9 | 85.5±7.2 | 85.2±9.1 | 75.4±12.9 | 81.6±9.6 | 80.6±7.1 | 88.3±6.2 | 82.7±7.8 | 71.9±14.3 | 81.5±8.5 | 59.8±4.6 |
| .10 | 89.5±6.1 | 89.3±6.2 | 90.2±6.3 | 85.5±7.7 | 81.8±11.2 | 77.8±12.0 | 77.4±11.1 | 76.2±7.3 | 85.6±7.0 | 79.8±9.0 | 72.5±15.5 | 78.2±9.1 | 56.7±4.1 |
| .20 | 86.3±7.7 | 88.1±6.9 | 88.4±7.6 | 86.3±7.4 | 77.4±13.6 | 82.1±9.8 | 72.5±12.6 | 69.3±6.3 | 81.9±8.1 | 74.3±10.6 | 70.8±16.0 | 74.8±9.4 | 53.9±2.9 |
| | | | | | | | | | | | | | |
| CIFAR-10 | .00 | 62.0±10.6 | 63.8±9.0 | 60.0±10.0 | 59.9±6.7 | 59.9±11.7 | 56.1±10.2 | 56.2±13.2 | 60.9±9.4 | 73.8±7.6 | 73.3±8.4 | 50.8±4.7 | 77.9±7.2 | 63.5±8.0 |
| .01 | 61.9±10.6 | 63.8±9.3 | 59.9±10.1 | 59.9±6.7 | 59.2±12.3 | 56.3±10.4 | 56.2±13.1 | 60.5±9.4 | 73.0±8.0 | 72.8±8.1 | 51.1±4.7 | 76.5±7.2 | 62.9±7.3 |
| .05 | 61.4±10.7 | 62.6±9.2 | 59.6±10.1 | 59.6±6.4 | 58.1±12.9 | 55.6±10.5 | 55.7±13.3 | 59.6±9.8 | 71.5±8.2 | 71.0±8.4 | 50.1±2.9 | 74.0±6.9 | 62.2±8.2 |
| .10 | 60.8±10.7 | 62.9±8.2 | 58.8±10.1 | 59.1±6.6 | 57.3±13.5 | 54.9±11.1 | 55.4±13.3 | 58.6±10.0 | 69.8±8.4 | 69.3±8.5 | 50.5±3.6 | 71.8±7.0 | 60.6±8.3 |
| .20 | 60.3±10.3 | 61.9±8.1 | 57.9±10.1 | 58.3±6.2 | 56.2±13.9 | 54.2±11.1 | 54.6±13.3 | 57.0±10.6 | 67.8±8.6 | 67.9±8.1 | 50.1±1.7 | 68.5±7.1 | 58.5±6.7 |
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+ "Table 5 : Complete results of experimental scenario (iii) , where we increase the number of anomaly classes $k _ { l }$ included in the labeled training data. We report the avg. AUC with st. dev. computed over 1OO experiments at various numbers $k _ { l }$ "
+ ],
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+ "table_body": "| Data | k | OC-SVM Raw | OC-SVM Hybrid | IF Raw | IF Hybrid | KDE KDE Raw Hybrid | CAE | | Deep SVDD | SSAD Raw | SSAD Hybrid | SS-DGM | Deep SAD | Supervised Classifier |
| MNIST | 0 1 2 | 88.8±6.0 | 91.4±5.1 | 82.3±9.5 | 88.2±6.5 | 82.1±8.5 | 85.9±6.6 | 83.7±8.4 | 86.5±6.8 | 88.8±6.0 90.7±4.4 92.5±3.6 93.9±3.3 | 91.4±5.1 86.0±4.6 87.7±3.8 89.8±3.3 | 89.7±7.5 92.8±5.3 94.9±4.2 | 86.5±6.8 91.2±4.9 92.0±3.6 94.7±2.8 | 83.6±8.2 90.3±4.6 93.9±2.8 |
| F-MNIST | 3 0 1 2 3 | 89.5±6.1 | 89.3±6.2 | 90.2±6.3 | 85.5±7.7 | 81.8±11.2 | 77.8±12.0 | 77.4±11.1 | 76.2±7.3 | 95.5±2.5 89.5±6.1 85.6±7.0 87.8±6.1 89.4±5.5 | 91.9±3.0 89.3±6.2 79.8±9.0 80.1±10.5 83.8±9.4 86.8±7.7 | 96.7±2.3 72.5±15.5 74.3±15.4 77.5±14.7 79.9±13.8 | 97.3±1.8 76.2±7.3 78.2±9.1 80.5±8.2 83.9±7.4 | 96.9±1.7 56.7±4.1 62.3±2.9 67.3±3.0 |
| CIFAR-10 | 5 0 1 2 3 | 60.8±10.7 | 62.9±8.2 | 58.8±10.1 | 59.1±6.6 | 57.3±13.5 | 54.9±11.1 | 55.4±13.3 | 58.6±10.0 | 60.8±10.7 69.8±8.4 73.0±7.1 73.8±6.6 75.1±5.5 | 62.9±8.2 69.3±8.5 72.3±7.5 73.3±7.0 74.2±6.5 | 50.5±3.6 50.3±2.4 50.0±0.7 50.0±1.0 | 58.6±10.0 71.8±7.0 75.2±6.4 77.5±5.9 80.4±4.6 | 60.6±8.3 61.0±6.6 62.7±6.8 60.9±4.6 |
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+ "Table 6 : Complete results on classic AD benchmark datasets in the setting with no pollution $\\gamma _ { p } = 0$ and a ratio of labeled anomalies of $\\gamma _ { l } = 0 . 0 1$ in the training set. We report the avg. AUC with st. dev. computed over 10 seeds. "
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+ "table_body": " | OC-SVM | OC-SVM | | Deep | SSAD | SSAD | | Deep | Supervised |
| Data | Raw | Hybrid | CAE | SVDD | Raw | Hybrid | SS-DGM | SAD | Classifier |
| arrhythmia | 84.5±3.9 | 76.7±6.2 | 74.0±7.5 | 74.6±9.0 | 86.7±4.0 | 78.3±5.1 | 50.3±9.8 | 75.9±8.7 | 39.2±9.5 |
| cardio | 98.5±0.3 | 82.8±9.3 | 94.3±2.0 | 84.8±3.6 | 98.8±0.3 | 86.3±5.8 | 66.2±14.3 | 95.0±1.6 | 83.2±9.6 |
| satellite | 95.1±0.2 | 68.6±4.8 | 80.0±1.7 | 79.8±4.1 | 96.2±0.3 | 86.9±2.8 | 57.4±6.4 | 91.5±1.1 | 87.2±2.1 |
| satimage-2 | 99.4±0.8 | 96.7±2.1 | 99.9±0.0 | 98.3±1.4 | 99.9±0.1 | 96.8±2.1 | 99.2±0.6 | 99.9±0.1 | 99.9±0.1 |
| shuttle | 99.4±0.9 | 94.1±9.5 | 98.2±1.2 | 86.3±7.5 | 99.6±0.5 | 97.7±1.0 | 97.9±0.3 | 98.4±0.9 | 95.1±8.0 |
| thyroid | 98.3±0.9 | 91.2±4.0 | 75.2±10.2 | 72.0±9.7 | 97.9±1.9 | 95.3±3.1 | 72.7±12.0 | 98.6±0.9 | 97.8±2.6 |
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new file mode 100644
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| cardio | 98.5±0.3 | 82.8±9.3 | 84.8±3.6 | 98.8±0.3 | 86.3±5.8 | 83.2±9.6 | 95.0±1.6 |
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| Raw |
| MNIST | .00 | 96.0±2.9 | 96.3±2.5 | 85.4±8.7 | 90.5±5.3 | 95.0±3.3 | 87.8±5.6 | 92.9±5.7 | 92.8±4.9 | 96.0±2.9 96.6±2.4 | 96.3±2.5 96.8±2.3 | | 92.8±4.9 | |
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| .05 | | | | | | | | | 90.7±4.4 | 97.6±1.7 | 91.6±5.5 | 96.9±2.3 | 94.5±4.6 |
| .10 | | | | | | | | | 87.2±5.6 | 97.8±1.5 | 91.2±5.6 | 96.9±2.4 | 95.0±4.7 |
| .20 | | | | | 92.0±4.9 | 69.7±14.4 | 90.2±5.8 | | | | | | 95.6±4.4 |
| .00 | 92.8±4.7 | 91.2±4.7 | 91.6±5.5 | 82.5±8.1 | | | | 89.2±6.2 | 92.8±4.7 92.1±5.0 | 91.2±4.7 89.4±6.0 | 65.1±16.3 | 89.2±6.2 90.0±6.4 | 74.4±13.6 |
| CIFAR-10 | .01 .05 | | | | | | | | | 88.3±6.2 | 90.5±5.9 | 71.4±12.7 | 90.5±6.5 | 76.8±13.2 |
| .10 | | | | | | | | | 85.5±7.1 | 91.0±5.6 | 72.9±12.2 | 91.3±6.0 | 79.0±12.3 |
| .20 | | | | | | | | | 82.0±8.0 | 89.7±6.6 | 74.7±13.5 | 91.0±5.5 | 81.4±12.0 |
| .00 | 62.0±10.6 | 63.8±9.0 | 60.0±10.0 | 59.9±6.7 | 59.9±11.7 | 56.1±10.2 | 56.2±13.2 | 60.9±9.4 | 62.0±10.6 | 63.8±9.0 | | 60.9±9.4 | |
| | | | | | | | | 73.0±8.0 | 70.5±8.3 | 49.7±1.7 | 72.6±7.4 | 55.6±5.0 |
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| .10 | | | | | | | | | 70.1±8.1 | 74.0±8.1 | 52.0±5.5 | 79.8±7.1 | 67.7±9.6 |
| .20 | | | | | | | | | 67.4±8.8 | 74.5±8.0 | 53.2±6.7 | 81.9±7.0 | 80.5±5.9 |
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| .10 | | | | | | | | | 85.5±7.1 | 91.0±5.6 | 72.9±12.2 | 91.3±6.0 | 79.0±12.3 |
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| | | | | | | | | 73.0±8.0 | 70.5±8.3 | 49.7±1.7 | 72.6±7.4 | 55.6±5.0 |
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| .20 | | | | | | | | | 67.4±8.8 | 74.5±8.0 | 53.2±6.7 | 81.9±7.0 | 80.5±5.9 |
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| F-MNIST | .00 | 92.8±4.7 | 91.2±4.7 | 91.6±5.5 | 82.5±8.1 | 92.0±4.9 | 69.7±14.4 | 90.2±5.8 | 89.2±6.2 | 94.0±4.4 | 90.5±5.9 | 71.4±12.7 | 90.5±6.5 | 76.8±13.2 |
| | 91.7±5.0 | 91.5±4.6 | 91.5±5.5 | 84.9±7.2 | 89.4±6.3 | 73.9±12.4 | 87.1±7.3 | 86.3±6.3 | 92.2±4.9 | 87.8±6.1 | 71.2±14.3 | 87.2±7.1 | 67.3±8.1 |
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| .10 | 89.5±6.1 | 89.3±6.2 | 90.2±6.3 | 85.5±7.7 | 81.8±11.2 | 77.8±12.0 | 77.4±11.1 | 76.2±7.3 | 85.6±7.0 | 79.8±9.0 | 72.5±15.5 | 78.2±9.1 | 56.7±4.1 |
| .20 | 86.3±7.7 | 88.1±6.9 | 88.4±7.6 | 86.3±7.4 | 77.4±13.6 | 82.1±9.8 | 72.5±12.6 | 69.3±6.3 | 81.9±8.1 | 74.3±10.6 | 70.8±16.0 | 74.8±9.4 | 53.9±2.9 |
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| CIFAR-10 | .00 | 62.0±10.6 | 63.8±9.0 | 60.0±10.0 | 59.9±6.7 | 59.9±11.7 | 56.1±10.2 | 56.2±13.2 | 60.9±9.4 | 73.8±7.6 | 73.3±8.4 | 50.8±4.7 | 77.9±7.2 | 63.5±8.0 |
| .01 | 61.9±10.6 | 63.8±9.3 | 59.9±10.1 | 59.9±6.7 | 59.2±12.3 | 56.3±10.4 | 56.2±13.1 | 60.5±9.4 | 73.0±8.0 | 72.8±8.1 | 51.1±4.7 | 76.5±7.2 | 62.9±7.3 |
| .05 | 61.4±10.7 | 62.6±9.2 | 59.6±10.1 | 59.6±6.4 | 58.1±12.9 | 55.6±10.5 | 55.7±13.3 | 59.6±9.8 | 71.5±8.2 | 71.0±8.4 | 50.1±2.9 | 74.0±6.9 | 62.2±8.2 |
| .10 | 60.8±10.7 | 62.9±8.2 | 58.8±10.1 | 59.1±6.6 | 57.3±13.5 | 54.9±11.1 | 55.4±13.3 | 58.6±10.0 | 69.8±8.4 | 69.3±8.5 | 50.5±3.6 | 71.8±7.0 | 60.6±8.3 |
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| | 91.7±5.0 | 91.5±4.6 | 91.5±5.5 | 84.9±7.2 | 89.4±6.3 | 73.9±12.4 | 87.1±7.3 | 86.3±6.3 | 92.2±4.9 | 87.8±6.1 | 71.2±14.3 | 87.2±7.1 | 67.3±8.1 |
| .01 .05 | 90.7±5.5 | 90.7±4.9 | 90.9±5.9 | 85.5±7.2 | 85.2±9.1 | 75.4±12.9 | 81.6±9.6 | 80.6±7.1 | 88.3±6.2 | 82.7±7.8 | 71.9±14.3 | 81.5±8.5 | 59.8±4.6 |
| .10 | 89.5±6.1 | 89.3±6.2 | 90.2±6.3 | 85.5±7.7 | 81.8±11.2 | 77.8±12.0 | 77.4±11.1 | 76.2±7.3 | 85.6±7.0 | 79.8±9.0 | 72.5±15.5 | 78.2±9.1 | 56.7±4.1 |
| .20 | 86.3±7.7 | 88.1±6.9 | 88.4±7.6 | 86.3±7.4 | 77.4±13.6 | 82.1±9.8 | 72.5±12.6 | 69.3±6.3 | 81.9±8.1 | 74.3±10.6 | 70.8±16.0 | 74.8±9.4 | 53.9±2.9 |
| | | | | | | | | | | | | | |
| CIFAR-10 | .00 | 62.0±10.6 | 63.8±9.0 | 60.0±10.0 | 59.9±6.7 | 59.9±11.7 | 56.1±10.2 | 56.2±13.2 | 60.9±9.4 | 73.8±7.6 | 73.3±8.4 | 50.8±4.7 | 77.9±7.2 | 63.5±8.0 |
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| .05 | 61.4±10.7 | 62.6±9.2 | 59.6±10.1 | 59.6±6.4 | 58.1±12.9 | 55.6±10.5 | 55.7±13.3 | 59.6±9.8 | 71.5±8.2 | 71.0±8.4 | 50.1±2.9 | 74.0±6.9 | 62.2±8.2 |
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| .01 | | | | | | | | | 93.3±3.6 | 97.4±2.0 | 89.9±9.2 92.2±5.6 | 96.4±2.7 96.7±2.4 | 92.8±5.5 |
| .05 | | | | | | | | | 90.7±4.4 | 97.6±1.7 | 91.6±5.5 | 96.9±2.3 | 94.5±4.6 |
| .10 | | | | | | | | | 87.2±5.6 | 97.8±1.5 | 91.2±5.6 | 96.9±2.4 | 95.0±4.7 |
| .20 | | | | | 92.0±4.9 | 69.7±14.4 | 90.2±5.8 | | | | | | 95.6±4.4 |
| .00 | 92.8±4.7 | 91.2±4.7 | 91.6±5.5 | 82.5±8.1 | | | | 89.2±6.2 | 92.8±4.7 92.1±5.0 | 91.2±4.7 89.4±6.0 | 65.1±16.3 | 89.2±6.2 90.0±6.4 | 74.4±13.6 |
| CIFAR-10 | .01 .05 | | | | | | | | | 88.3±6.2 | 90.5±5.9 | 71.4±12.7 | 90.5±6.5 | 76.8±13.2 |
| .10 | | | | | | | | | 85.5±7.1 | 91.0±5.6 | 72.9±12.2 | 91.3±6.0 | 79.0±12.3 |
| .20 | | | | | | | | | 82.0±8.0 | 89.7±6.6 | 74.7±13.5 | 91.0±5.5 | 81.4±12.0 |
| .00 | 62.0±10.6 | 63.8±9.0 | 60.0±10.0 | 59.9±6.7 | 59.9±11.7 | 56.1±10.2 | 56.2±13.2 | 60.9±9.4 | 62.0±10.6 | 63.8±9.0 | | 60.9±9.4 | |
| | | | | | | | | 73.0±8.0 | 70.5±8.3 | 49.7±1.7 | 72.6±7.4 | 55.6±5.0 |
| .01 .05 | | | | | | | | | 71.5±8.1 | 73.3±8.4 | 50.8±4.7 | 77.9±7.2 | 63.5±8.0 |
| .10 | | | | | | | | | 70.1±8.1 | 74.0±8.1 | 52.0±5.5 | 79.8±7.1 | 67.7±9.6 |
| .20 | | | | | | | | | 67.4±8.8 | 74.5±8.0 | 53.2±6.7 | 81.9±7.0 | 80.5±5.9 |
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| MNIST | .00 .01 | 96.0±2.9 | 96.3±2.5 | 85.4±8.7 | 90.5±5.3 | 95.0±3.3 | 87.8±5.6 | 92.9±5.7 | 92.8±4.9 | 97.9±1.8 | 97.4±2.0 | 92.2±5.6 | 96.7±2.4 | 94.5±4.6 |
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| F-MNIST | .00 | 92.8±4.7 | 91.2±4.7 | 91.6±5.5 | 82.5±8.1 | 92.0±4.9 | 69.7±14.4 | 90.2±5.8 | 89.2±6.2 | 94.0±4.4 | 90.5±5.9 | 71.4±12.7 | 90.5±6.5 | 76.8±13.2 |
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| .01 .05 | 90.7±5.5 | 90.7±4.9 | 90.9±5.9 | 85.5±7.2 | 85.2±9.1 | 75.4±12.9 | 81.6±9.6 | 80.6±7.1 | 88.3±6.2 | 82.7±7.8 | 71.9±14.3 | 81.5±8.5 | 59.8±4.6 |
| .10 | 89.5±6.1 | 89.3±6.2 | 90.2±6.3 | 85.5±7.7 | 81.8±11.2 | 77.8±12.0 | 77.4±11.1 | 76.2±7.3 | 85.6±7.0 | 79.8±9.0 | 72.5±15.5 | 78.2±9.1 | 56.7±4.1 |
| .20 | 86.3±7.7 | 88.1±6.9 | 88.4±7.6 | 86.3±7.4 | 77.4±13.6 | 82.1±9.8 | 72.5±12.6 | 69.3±6.3 | 81.9±8.1 | 74.3±10.6 | 70.8±16.0 | 74.8±9.4 | 53.9±2.9 |
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| CIFAR-10 | .00 | 62.0±10.6 | 63.8±9.0 | 60.0±10.0 | 59.9±6.7 | 59.9±11.7 | 56.1±10.2 | 56.2±13.2 | 60.9±9.4 | 73.8±7.6 | 73.3±8.4 | 50.8±4.7 | 77.9±7.2 | 63.5±8.0 |
| .01 | 61.9±10.6 | 63.8±9.3 | 59.9±10.1 | 59.9±6.7 | 59.2±12.3 | 56.3±10.4 | 56.2±13.1 | 60.5±9.4 | 73.0±8.0 | 72.8±8.1 | 51.1±4.7 | 76.5±7.2 | 62.9±7.3 |
| .05 | 61.4±10.7 | 62.6±9.2 | 59.6±10.1 | 59.6±6.4 | 58.1±12.9 | 55.6±10.5 | 55.7±13.3 | 59.6±9.8 | 71.5±8.2 | 71.0±8.4 | 50.1±2.9 | 74.0±6.9 | 62.2±8.2 |
| .10 | 60.8±10.7 | 62.9±8.2 | 58.8±10.1 | 59.1±6.6 | 57.3±13.5 | 54.9±11.1 | 55.4±13.3 | 58.6±10.0 | 69.8±8.4 | 69.3±8.5 | 50.5±3.6 | 71.8±7.0 | 60.6±8.3 |
| .20 | 60.3±10.3 | 61.9±8.1 | 57.9±10.1 | 58.3±6.2 | 56.2±13.9 | 54.2±11.1 | 54.6±13.3 | 57.0±10.6 | 67.8±8.6 | 67.9±8.1 | 50.1±1.7 | 68.5±7.1 | 58.5±6.7 |
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| shuttle | 99.4±0.9 | 94.1±9.5 | 98.2±1.2 | 86.3±7.5 | 99.6±0.5 | 97.7±1.0 | 97.9±0.3 | 98.4±0.9 | 95.1±8.0 |
| thyroid | 98.3±0.9 | 91.2±4.0 | 75.2±10.2 | 72.0±9.7 | 97.9±1.9 | 95.3±3.1 | 72.7±12.0 | 98.6±0.9 | 97.8±2.6 |
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+ {
+ "type": "text",
+ "text": "DEEP NEUROEVOLUTION: GENETIC ALGORITHMS ARE A COMPETITIVE ALTERNATIVE FOR TRAINING DEEP NEURAL NETWORKS FOR REINFORCEMENT LEARNING ",
+ "text_level": 1,
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+ "text": "Anonymous authors Paper under double-blind review ",
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+ "page_idx": 0
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+ "type": "text",
+ "text": "ABSTRACT ",
+ "text_level": 1,
+ "bbox": [
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+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "Deep artificial neural networks (DNNs) are typically trained via gradient-based learning algorithms, namely backpropagation. Evolution strategies (ES) can rival backprop-based algorithms such as Q-learning and policy gradients on challenging deep reinforcement learning (RL) problems. However, ES can be considered a gradient-based algorithm because it performs stochastic gradient descent via an operation similar to a finite-difference approximation of the gradient. That raises the question of whether non-gradient-based evolutionary algorithms can work at DNN scales. Here we demonstrate they can: we evolve the weights of a DNN with a simple, gradient-free, population-based genetic algorithm (GA) and it performs well on hard deep RL problems, including Atari and humanoid locomotion. The Deep GA successfully evolves networks with over four million free parameters, the largest neural networks ever evolved with a traditional evolutionary algorithm. These results (1) expand our sense of the scale at which GAs can operate, (2) suggest intriguingly that in some cases following the gradient is not the best choice for optimizing performance, and (3) make immediately available the multitude of neuroevolution techniques that improve performance. We demonstrate the latter by showing that combining DNNs with novelty search, which encourages exploration on tasks with deceptive or sparse reward functions, can solve a high-dimensional problem on which reward-maximizing algorithms (e.g. DQN, A3C, ES, and the GA) fail. Additionally, the Deep GA is faster than ES, A3C, and DQN (it can train Atari in ${ \\sim } 4$ hours on one workstation or ${ \\sim } 1$ hour distributed on 720 cores), and enables a state-of-the-art, up to 10,000-fold compact encoding technique. ",
+ "bbox": [
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+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "1 INTRODUCTION ",
+ "text_level": 1,
+ "bbox": [
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+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "A recent trend in machine learning and AI research is that old algorithms work remarkably well when combined with sufficient computing resources and data. That has been the story for (1) backpropagation applied to deep neural networks in supervised learning tasks such as computer vision Krizhevsky et al. (2012) and voice recognition Seide et al. (2011), (2) backpropagation for deep neural networks combined with traditional reinforcement learning algorithms, such as Q-learning Watkins and Dayan (1992); Mnih et al. (2015) or policy gradient (PG) methods Sehnke et al. (2010); Mnih et al. (2016), and (3) evolution strategies (ES) applied to reinforcement learning benchmarks Salimans et al. (2017). One common theme is that all of these methods are gradient-based, including ES, which involves a gradient approximation similar to finite differences Williams (1992); Wierstra et al. (2008); Salimans et al. (2017). This historical trend raises the question of whether a similar story will play out for gradient-free methods, such as population-based GAs. ",
+ "bbox": [
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+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "This paper investigates that question by testing the performance of a simple GA on hard deep reinforcement learning (RL) benchmarks, including Atari 2600 Bellemare et al. (2013); Brockman et al. (2016); Mnih et al. (2015) and Humanoid Locomotion in the MuJoCo simulator Todorov et al. (2012); Schulman et al. (2015; 2017); Brockman et al. (2016). We compare the performance of the GA with that of contemporary algorithms applied to deep RL (i.e. DQN Mnih et al. (2015), a ",
+ "bbox": [
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+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "Q-learning method, A3C Mnih et al. (2016), a policy gradient method, and ES). One might expect GAs to perform far worse than other methods because they are so simple and do not follow gradients. Surprisingly, we found that GAs turn out to be a competitive algorithm for RL – performing better on some domains and worse on others, and roughly as well overall as A3C, DQN, and ES – adding a new family of algorithms to the toolbox for deep RL problems. We also validate the effectiveness of learning with GAs by comparing their performance to that of random search (RS). While the GA always outperforms random search, interestingly we discovered that in some Atari games random search outperforms powerful deep RL algorithms (DQN on 3/13 games, A3C on 6/13, and ES on 3/13), suggesting that local optima, saddle points, noisy gradient estimates, or other factors are impeding progress on these problems for gradient-based methods. Although deep neural networks often do not struggle with local optima in supervised learning Pascanu et al. (2014), local optima remain an issue in RL because the reward signal may deceptively encourage the agent to perform actions that prevent it from discovering the globally optimal behavior. ",
+ "bbox": [
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+ "page_idx": 1
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+ {
+ "type": "text",
+ "text": "Like ES and the deep RL algorithms, the GA has unique benefits. GAs prove slightly faster than ES (discussed below). The GA and ES are thus both substantially faster in wall-clock speed than Q-learning and policy gradient methods. We explore two distinct GA implementations: (1) a singlemachine version with GPUs and CPUs, and (2) a distributed version on many CPUs across many machines. On a single modern workstation with 4 GPUs and 48 CPU cores, the GA can train Atari in ${ \\sim } 4$ hours. Training to comparable performance takes ${ \\sim } 7 { - } 1 0$ days for DQN and ${ \\sim } 4$ days for A3C. This speedup enables individual researchers with single (albeit expensive) workstations to start using domains formerly reserved for well-funded labs only and iterate perhaps more rapidly than with any other RL algorithm. Given substantial distributed computation (here, 720 CPU cores across dozens of machines), the GA and ES can train Atari in ${ \\sim } 1$ hour. Also beneficial, via a new technique we introduce, even multi-million-parameter networks trained by GAs can be encoded with very few (thousands of) bytes, yielding the state-of-the-art compact encoding method. ",
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+ "type": "text",
+ "text": "Overall, the unexpectedly competitive performance of the GA (and random search) suggests that the structure of the search space in some of these domains is not amenable to gradient-based search. That realization opens up new research directions on when/how to exploit the regions where a gradientfree search might be more appropriate and motivates research into new kinds of hybrid algorithms. ",
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+ "type": "text",
+ "text": "2 BACKGROUND ",
+ "text_level": 1,
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+ "type": "text",
+ "text": "At a high level, an RL problem challenges an agent to maximize some notion of cumulative reward (e.g. total, or discounted) without supervision as to how to accomplish that goal Sutton and Barto (1998). A host of traditional RL algorithms perform well on small, tabular state spaces Sutton and Barto (1998). However, scaling to high-dimensional problems (e.g. learning to act directly from pixels) was challenging until RL algorithms harnessed the representational power of deep neural networks (DNNs), thus catalyzing the field of deep reinforcement learning (deep RL) Mnih et al. (2015). Three broad families of deep learning algorithms have shown promise on RL problems so far: Q-learning methods such as DQN Mnih et al. (2015), policy gradient methods Sehnke et al. (2010) (e.g. A3C Mnih et al. (2016), TRPO Schulman et al. (2015), PPO Schulman et al. (2017)), and more recently evolution strategies (ES) Salimans et al. (2017). ",
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+ "type": "text",
+ "text": "Deep Q-learning algorithms approximate the optimal Q function with DNNs, yielding policies that, for a given state, choose the action with the maximum Q-value Watkins and Dayan (1992); Mnih et al. (2015); Hessel et al. (2017). Policy gradient methods directly learn the parameters of a DNN policy that outputs the probability of taking each action in each state. A team from OpenAI recently experimented with a simplified version of Natural Evolution Strategies Wierstra et al. (2008), specifically one that learns the mean of a distribution of parameters, but not its variance. They found that this algorithm, which we will refer to simply as evolution strategies (ES), is competitive with DQN and A3C on difficult RL benchmark problems, with much faster training times (i.e. faster wall-clock time when many CPUs are available) due to better parallelization Salimans et al. (2017). ",
+ "bbox": [
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+ "type": "text",
+ "text": "All of these methods can be considered gradient-based methods, as they all calculate or approximate gradients in a DNN and optimize those parameters via stochastic gradient descent/ascent (though they do not require differentiating through the reward function, e.g. a simulator). DQN calculates the gradient of the loss of the DNN Q-value function approximator via backpropagation. Policy gradients sample behaviors stochastically from the current policy and then reinforce those that perform well via stochastic gradient ascent. ES does not calculate gradients analytically, but approximates the gradient of the reward function in the parameter space Salimans et al. (2017); Wierstra et al. (2008). ",
+ "bbox": [
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+ "text": "",
+ "bbox": [
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+ "type": "text",
+ "text": "Here we test whether a truly gradient-free method, a GA, can perform well on challenging deep RL tasks. We find GAs perform surprisingly well and thus can be considered a new addition to the set of algorithms for deep RL problems. ",
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+ {
+ "type": "text",
+ "text": "3 METHODS ",
+ "text_level": 1,
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+ {
+ "type": "text",
+ "text": "3.1 GENETIC ALGORITHM ",
+ "text_level": 1,
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+ "type": "text",
+ "text": "We purposefully test with an extremely simple GA to set a baseline for how well evolutionary algorithms work for RL problems. We expect future work to reveal that adding the legion of enhancements that exist for GAs Fogel and Stayton (1994); Haupt and Haupt (2004); Clune et al. (2011); Mouret and Doncieux (2009); Lehman and Stanley (2011a); Stanley et al. (2009); Mouret and Clune (2015) will improve their performance on deep RL tasks. ",
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+ "type": "text",
+ "text": "A genetic algorithm Holland (1992); Eiben et al. (2003) evolves a population $\\mathcal { P }$ of $N$ individuals (here, neural network parameter vectors $\\theta$ , often called genotypes). At every generation, each $\\theta _ { i }$ is evaluated, producing a fitness score (aka reward) $F ( \\theta _ { i } )$ . Our GA variant performs truncation selection, wherein the top $T$ individuals become the parents of the next generation. To produce the next generation, the following process is repeated $N - 1$ times: A parent is selected uniformly at random with replacement and is mutated by applying additive Gaussian noise to the parameter vector: $\\theta ^ { \\prime } = \\theta + \\bar { \\sigma } \\epsilon$ where $\\epsilon \\sim \\mathcal { N } ( 0 , I )$ . The appropriate value of $\\sigma$ was determined empirically for each experiment, as described in Supplementary Information (SI) Table 2. The $N ^ { \\mathrm { t h } }$ individual is an unmodified copy of the best individual from the previous generation, a technique called elitism. To more reliably try to select the true elite in the presence of noisy evaluation, we evaluate each of the top 10 individuals per generation on 30 additional episodes (counting these frames as ones consumed during training); the one with the highest mean score is the designated elite. Historically, GAs often involve crossover (i.e. combining parameters from multiple parents to produce an offspring), but for simplicity we did not include it. The new population is then evaluated and the process repeats for $G$ generations or until some other stopping criterion is met. SI Algorithm 1 provides pseudocode for our version. ",
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+ "type": "text",
+ "text": "Open source code and hyperparameter configurations for all of our experiments are available: anonymous. Hyperparameters are also listed in SI Table 2. Hyperparameters were fixed for all Atari games, chosen from a set of 36 hyperparameters tested on six games (Asterix, Enduro, Gravitar, Kangaroo, Seaquest, Venture). ",
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+ "type": "text",
+ "text": "GA implementations traditionally store each individual as a parameter vector $\\theta$ , but this approach scales poorly in memory and network transmission costs with large populations and large (deeper and wider) neural networks. We propose a novel method to store large parameter vectors compactly by representing each parameter vector as an initialization seed plus the list of random seeds that produced each of the mutations that led to each $\\theta$ . This information is sufficient to reconstruct each $\\theta$ . This innovation was critical for an efficient implementation of a distributed deep GA. SI Fig. 1 shows, and Eq. 1 describes, the method. ",
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+ "type": "equation",
+ "img_path": "images/4c4dbbe7888e1194c6f2463a71adbc9658c26b0ee221a52b3372727426b47935.jpg",
+ "text": "$$\n\\theta ^ { n } = \\psi ( \\theta ^ { n - 1 } , \\tau _ { n } ) = \\theta ^ { n - 1 } + \\sigma \\varepsilon ( \\tau _ { n } )\n$$",
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+ "type": "text",
+ "text": "where $\\theta ^ { n }$ is an offspring of $\\theta ^ { n - 1 }$ , $\\psi ( \\theta ^ { n - 1 } , \\tau _ { n } )$ is a deterministic mutation function, $\\tau$ is a vector of mutation seeds that encodes $\\theta ^ { n }$ , $\\theta ^ { 0 } = \\phi ( \\tau _ { 0 } )$ , where $\\phi$ is a deterministic initialization function, and $\\varepsilon ( \\tau _ { n } ) \\sim \\mathcal { N } ( 0 , I )$ is a deterministic Gaussian pseudo-random number generator with an input seed $\\tau _ { n }$ that produces a vector of length $| \\theta |$ . In our case, $\\varepsilon ( \\tau _ { n } )$ is a large precomputed table that is indexed by 28-bit seeds. SI Sec. 7.3 provides more details, including how the seeds could be smaller. ",
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+ "type": "text",
+ "text": "This technique is advantageous because the size of the compressed representation increases linearly with the number of generations (often order thousands), and is independent of the size of the network (often order millions or more). It does, of course, require computation to reconstruct the DNN weight vector. Competitive Atari-playing agents evolve in as little as tens of generations, enabling a compressed representation of a $^ { 4 \\mathbf { M } + }$ parameter neural network in just thousands of bytes (a 10,000- fold compression). The compression rate depends on the number of generations, but in practice is always substantial: all Atari final networks were compressible 8,000-50,000-fold. This represents the state of the art in encoding large networks compactly. However, it is not a general network compression technique because it cannot compress arbitrary networks, and instead only works for networks evolved with a GA. ",
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+ "text": "One motivation for choosing ES versus Q-learning and policy gradient methods is its faster wallclock time with distributed computation, owing to better parallelization Salimans et al. (2017). We found that the distributed CPU-only Deep GA not only preserves this benefit, but slightly improves upon it (SI Sec. 7.1 describes why GAs–distributed or local–are faster than ES). Importantly, GAs can also use GPUs to speed up the forward pass of DNNs (especially large ones), making it possible to train on a single workstation. With our GPU-enabled implementation, on one modern workstation we can train Atari in ${ \\sim } 4$ hours what takes ${ \\sim } 1$ hour with 720 distributed cores. Distributed GPU training would further speed up training for large population sizes. ",
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+ "text": "3.2 NOVELTY SEARCH ",
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+ "text": "One benefit of training deep neural networks with GAs is it enables us to immediately take advantage of algorithms previously developed in the neuroevolution community. As a demonstration, we experiment with novelty search (NS) Lehman and Stanley (2011b), which was designed for deceptive domains in which reward-based optimization mechanisms converge to local optima. NS avoids these local optima by ignoring the reward function during evolution and instead rewarding agents for performing behaviors that have never been performed before (i.e. that are novel). Surprisingly, it can often outperform algorithms that utilize the reward signal, a result demonstrated on maze navigation and simulated biped locomotion tasks Lehman and Stanley (2011b). Here we apply NS to see how it performs when combined with DNNs on a deceptive image-based RL problem (that we call the Image Hard Maze). We refer to the GA that optimizes for novelty as GA-NS. ",
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+ "text": "NS requires a behavior characteristic (BC) that describes the behavior of a policy $B C ( \\pi )$ and a behavioral distance function between the BCs of any two policies: $\\mathrm { l i s t } ( B C ( \\pi _ { i } ) , B C ( \\pi _ { j } ) )$ , both of which are domain-specific. After each generation, members of the population have a probability $p$ (here, 0.01) of having their BC stored in an archive. The novelty of a policy is defined as the average distance to the $k$ (here, 25) nearest neighbors (sorted by behavioral distance) in the population or archive. Novel individuals are thus determined based on their behavioral distance to current or previously seen individuals. The GA otherwise proceeds as normal, substituting novelty for fitness (reward). For reporting and plotting purposes only, we identify the individual with the highest reward per generation. The algorithm is presented in SI Algorithm 2. ",
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+ "text": "4 EXPERIMENTS ",
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+ "text": "Our experiments focus on the performance of the GA on the same challenging problems that have validated the effectiveness of state-of-the-art deep RL algorithms and ES Salimans et al. (2017). They include learning to play Atari directly from pixels Mnih et al. (2015); Schulman et al. (2017); Mnih et al. (2016); Bellemare et al. (2013) and a continuous control problem involving a simulated humanoid robot learning to walk Brockman et al. (2016); Schulman et al. (2017); Salimans et al. (2017); Todorov et al. (2012). We also tested on an Atari-scale maze domain that has a clear local optimum (Image Hard Maze) to study how well these algorithms avoid deception Lehman and Stanley (2011b). ",
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+ "text": "For Atari and Image Hard Maze experiments, we record the best agent found in each of multiple, independent, randomly initialized GA runs: 5 for Atari, 10 for the Image Hard Maze. Because Atari is stochastic, the final score for each run takes the highest-scoring elite across generations, and reports the mean score it achieves on 200 independent evaluations. The final score for the domain is then the median of final run scores. Humanoid Locomotion details are in SI. Sec 7.6. ",
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+ "text": "4.1 ATARI ",
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+ "text": "Training deep neural networks to play Atari – mapping directly from pixels to actions – was a celebrated feat that arguably launched the deep RL era and expanded our understanding of the difficulty of RL domains that machine learning could tackle Mnih et al. (2015). Here we test how the performance of DNNs evolved by a simple GA compare to DNNs trained by the major families of deep RL algorithms and ES. We model our experiments on those from the ES paper by Salimans et al. (2017) because it inspired our study. Due to limited computational resources, our initial and main study compares results on 13 Atari games. Some were chosen because they are games on which ES performs well (Frostbite, Gravitar, Kangaroo, Venture, Zaxxon) or poorly (Amidar, Enduro, Skiing, Seaquest) and the remaining games were chosen from the ALE Bellemare et al. (2013) set in alphabetical order (Assault, Asterix, Asteroids, Atlantis). We later expanded our study to the full set of 57 Atari games from recent milestone papers Hessel et al. (2017); Horgan et al. (2018) and our conclusions were qualitatively unchanged (SI Sec. 7.8). To facilitate comparisons with results reported in Salimans et al. (2017), we keep the number of game frames agents experience over the course of a GA run constant (at one billion frames). The frame limit results in a differing number of generations per independent GA run (SI Sec. Table 3), as policies of different quality in different runs may see more frames in some games (e.g. if the agent lives longer). ",
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+ "text": "During training, each agent is evaluated on a full episode (capped at 20k frames), which can include multiple lives, and fitness is the sum of episode rewards, i.e. the final Atari game score. The following are identical to DQN Mnih et al. (2015): (1) data preprocessing, (2) network architecture, and (3) the stochastic environment that starts each episode with up to 30 random, initial no-op operations. We use the larger DQN architecture from Mnih et al. (2015) consisting of 3 convolutional layers with 32, 64, and 64 channels followed by a hidden layer with 512 units. The convolutional layers use $8 \\times 8$ , $4 \\times 4$ , and $3 \\times 3$ filters with strides of 4, 2, and 1, respectively. All hidden layers were followed by a rectifier nonlinearity (ReLU). The network contains over 4M parameters; interestingly, many in the past assumed that a simple GA would fail at such scales. All results are from our single-machine CPU $^ +$ GPU GA implementation. ",
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+ "text": "Fair comparisons between algorithms is difficult, as evaluation procedures are non-uniform and algorithms realize different trade-offs between computation, wall-clock speed, and sample efficiency. Another consideration is whether agents are evaluated on random starts (a random number of no-op actions), which is the regime they are trained on, or on starts randomly sampled from human play, which tests for generalization Nair et al. (2015). Because we do not have a database of human starts to sample from, our agents are evaluated with random starts. Where possible, we compare our results to those for other algorithms on random starts. That is true for DQN and ES, but not for A3C, where we had to include results on human starts. ",
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+ "text": "We also attempt to control for the number of frames seen during training, but because DQN is far slower to run, we present results from the literature that train on fewer frames (200M, which requires 7-10 days of computation vs. hours of computation needed for ES and the GA to train on 1B frames). There are many variants of DQN that we could compare to, including the Rainbow Hessel et al. (2017) algorithm that combines many different recent improvements to DQN Van Hasselt et al. (2016); Wang et al. (2015); Schaul et al. (2015); Sutton and Barto (1998); Bellemare et al. (2017); Fortunato et al. (2017). However, we choose to compare the GA to the original, vanilla DQN algorithm, partly because we also introduce a vanilla GA, without the many modifications and improvements that have been previously developed Haupt and Haupt (2004). ",
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+ "text": "In what will likely be a surprise to many, the simple GA is able to train deep neural networks to play many Atari games roughly as well as DQN, A3C, and ES (Table 1). Among the first set of 13 games we tried, DQN, ES and the GA produced the best score on 3 games, while A3C produced the best score on 4. On Skiing, the GA produced a score higher than any other algorithm published to date. On some games, the GA performance advantage over DQN, A3C, and ES is considerable (e.g. Frostbite, Venture, Skiing). Videos of policies evolved by the GA can be viewed here: anonymous. In a head-to-head comparisons, the GA performs better than ES, A3C, and DQN on 6 games each out of 13 (Tables 1 & 6). ",
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+ "text": "The GA also performs worse on many games, continuing a theme in deep RL where different families of algorithms perform differently across different domains Salimans et al. (2017). However, all such comparisons are preliminary because more computational resources are needed to gather sufficient sample sizes to see if the algorithms are significantly different per game; instead the key takeaway is that they all tend to perform roughly similarly in that each does well on different games. ",
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+ "text": "Because performance did not plateau in the GA runs, we test whether the GA improves further given additional computation. We thus run the GA six times longer (6B frames) and in all games, its score ",
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+ "table_body": " | DQN | ES | A3C | RS 1B | GA 1B | GA 6B |
| Frames Time | 200M ~7-10d | 1B ~1h | 1B ~4d | ~ 1h or 4h | ~ 1h or 4h | ~ 6h or 24h |
| Forward Passes | 450M | 250M | 250M | 250M | 250M | 1.5B |
| Backward Passes | 400M | 0 | 250M | 0 | 0 | 0 |
| Operations | 1.25B U | 250MU | 1B U | 250MU | 250MU | 1.5B U |
| amidar | 978 | 112 | 264 | 143 | 263 | 377 |
| assault | 4,280 | 1,674 | 5,475 | 649 | 714 | 814 |
| asterix | 4,359 | 1,440 | 22,140 | 1,197 | 1,850 | 2,255 |
| asteroids | 1,365 | 1,562 | 4,475 | 1,307 | 1,661 | 2,700 |
| atlantis | 279,987 | 1,267,410 | 911,091 | 26,371 | 76,273 | 129,167 |
| enduro | 729 | 95 | -82 | 36 | 60 | 80 |
| frostbite | 797 | 370 | 191 | 1,164 | 4,536 | 6,220 |
| gravitar | 473 | 805 | 304 | 431 | 476 | 764 |
| kangaroo | 7,259 | 11,200 | 94 | 1,099 | 3,790 | 11,254 |
| seaquest | 5,861 | 1,390 | 2,355 | 503 | 798 | 850 |
| skiing | -13,062 | -15,443 | -10,911 | -7,679 | -6,502 | -5,541 |
| venture | 163 | 760 | 23 | 488 | 969 | 1,422 |
| zaxxon | 5,363 | 6,380 | 24,622 | 2,538 | 6,180 | 7,864 |
",
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+ "text": "Table 1: On Atari a simple genetic algorithm is competitive with Q-learning (DQN), policy gradients (A3C), and evolution strategies (ES). Shown are game scores (higher is better). Comparing performance between algorithms is inherently challenging (see main text), but we attempt to facilitate comparisons by showing estimates for the amount of computation (operations, the sum of forward and backward neural network passes), data efficiency (the number of game frames from training episodes), and how long in wall-clock time the algorithm takes to run. The ES, DQN, A3C, and GA (1B) perform best on 3, 3, 4, and 3 games, respectively. Thus, overall, each algorithm is best on a different subset of games, and all are in that sense competitive alternatives. The GA produced state-of-the-art results on Skiing. In a much larger set of games, these results qualitatively hold and, surprisingly, the GA can sometimes even outperform highly-sophisticated algorithms produced after years of intense research into improving DQN, such as Rainbow and Ape-X (SI Sec. 7.8). Interestingly, random search often finds policies superior to those of DQN, A3C, and ES (see text for discussion). Note the dramatic differences in the speeds of the algorithm, which are much faster for the GA and ES, and data efficiency, which favors DQN. The scores for DQN are from Hessel et al. (2017) while those for A3C and ES are from Salimans et al. (2017). For A3C, DQN, and ES, we cannot provide error bars because they were not reported in the original literature; GA and random search error bars are visualized in (SI Fig. 2). The wall-clock times are approximate because they depend on a variety of hard-to-control-for factors. We found the GA runs slightly faster than ES on average. GA 6B scores are bolded if best, but do not prevent bolding in other columns. ",
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+ "text": "improves (Table 1). With these post-6B-frame scores, the GA outperforms A3C, ES, and DQN on 7, 8, 7 of the 13 games in head-to-head comparisons, respectively (SI Table 6). In most games, the GA’s performance still has not converged at 6B frames (SI Fig. 2), leaving open the question of to how well the GA will ultimately perform when run even longer. To our knowledge, this $^ { 4 \\mathbf { M } + }$ parameter neural network is the largest neural network ever evolved with a simple GA. ",
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+ "text": "In the expanded game set, all of the results described above qualitatively hold. On some games the GA also outperforms Rainbow Hessel et al. (2017) and Ape-X Horgan et al. (2018), two recent, powerful DQN enhancements produced after years of research by a large community into improving DQN (SI Sec. 7.8). The GA yields state-of the-art results on 6 games, including both sparse- and dense-reward games. ",
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+ "text": "One remarkable fact is how quickly the GA finds high-performing individuals. Because we employ a large population size (1K), each run lasts relatively few generations (min 348, max 1,834, SI Table 3). In many games, the GA finds a solution better than DQN in only one or tens of generations! Specifically, the median GA performance is higher than the final DQN performance in 1, 1, 3, 5, 11, and 29 generations for Skiing, Venture, Frostbite, Asteroids, Gravitar, and Zaxxon, respectively. Similar results hold for ES, where 1, 2, 3, 7, 12, and 25 GA generations were needed to outperform ",
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+ "text": "ES on Skiing, Frostbite, Amidar, Asterix, Asteroids, and Venture, respectively. The number of generations required to beat A3C were 1, 1, 1, 1, 1, 2, and 52 for Enduro, Frostbite, Kangaroo, Skiing, Venture, Gravitar, and Amidar, respectively. ",
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+ "text": "Each generation, the GA tends to make small-magnitude changes (controlled by $\\sigma$ ) to the parameter vector (see Methods). That the GA outperforms DQN, A3C, and ES in so few generations – especially when it does so in the first generation (which is before a round of selection) – suggests that many high-quality policies exist near the origin (to be precise, in or near the region in which the random initialization function generates policies). That raises the question: is the GA doing anything more than random search? ",
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+ "text": "To answer this question, we evaluate many policies randomly generated by the GA’s initialization function $\\phi$ and report the best score. We gave random search approximately the same amount of frames and computation as the GA and compared their performance (Table 1). In every game, the GA outperformed random search, and did so significantly on 9/13 games (Fig. 2, $p < 0 . 0 5$ , this and all future $p$ values are via a Wilcoxon rank-sum test). The improved performance suggests the GA is performing healthy optimization over generations. ",
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+ "text": "Surprisingly, given how celebrated and impressive DQN, ES and A3C are, out of 13 games random search actually outperforms DQN on 3 (Frostbite, Skiing, & Venture), ES on 3 (Amidar, Frostbite, & Skiing), and A3C on 6 (Enduro, Frostbite, Gravitar, Kangaroo, Skiing, & Venture). Interestingly, some of these policies produced by random search are not trivial, degenerate policies. Instead, they appear quite sophisticated. Consider the following example from the game Frostbite, which requires an agent to perform a long sequence of jumps up and down rows of icebergs moving in different directions (while avoiding enemies and optionally collecting food) to build an igloo brick by brick (SI Fig. 3). Only after the igloo is built can the agent enter the igloo to receive a large payoff. Over its first two lives, a policy found by random search completes a series of 17 actions, jumping down 4 rows of icebergs moving in different directions (while avoiding enemies) and back up again three times to construct an igloo. Then, only once the igloo is built, the agent immediately moves towards it and enters it, at which point it gets a large reward. It then repeats the entire process on a harder level, this time also gathering food and thus earning bonus points (video: anonymous). That policy resulted in a very high score of 3,620 in less than 1 hour of random search, vs. an average score of 797 produced by DQN after 7-10 days of optimization. One may think that random search found a lucky open loop sequence of actions overfit to that particular stochastic environment. Remarkably, we found that this policy actually generalizes to other initial conditions too, achieving a median score of 3,170 (with $9 5 \\%$ bootstrapped median confidence intervals of $2 , 5 8 0 \\AA - 3 , 1 7 0 )$ on 200 different test environments (each with up to 30 random initial no-ops, a standard testing procedure Hessel et al. (2017); Mnih et al. (2015)). ",
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+ "text": "These examples and the success of RS versus DQN, A3C, and ES suggest that many Atari games that seem hard based on the low performance of leading deep RL algorithms may not be as hard as we think, and instead that these algorithms for some reason are performing poorly on tasks that are actually quite easy. These results further suggest that sometimes the best search strategy is not to follow the gradient, but instead to conduct a dense search in a local neighborhood and select the best point found, a subject we return to in the discussion (Sec. 5). ",
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+ "type": "text",
+ "text": "4.2 IMAGE HARD MAZE ",
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+ "text": "We also conducted an experiment to demonstrate a benefit of GAs working at DNN scales, which is that algorithms that were developed to improve GAs can be immediately taken off the shelf to improve DNN training. The example algorithm we chose is novelty search (NS), a popular evolutionary method for RL exploration Lehman and Stanley (2011b). We found that the GA plus NS can solve a high-dimensional robot control problem on which reward-maximizing algorithms (e.g. DQN, A3C, ES, and the GA) fail (SI Sec. 7.5). ",
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+ "type": "text",
+ "text": "4.3 HUMANOID LOCOMOTION ",
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+ "text": "The GA was also able to solve the challenging continuous control benchmark of Humanoid Locomotion Brockman et al. (2016), which has validated modern, powerful algorithms such as A3C, TRPO, and ES. While the GA did produce robots that could walk well, it took ${ \\sim } 1 5$ times longer to ",
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+ "text": "perform slightly worse than ES (SI Sec. 7.6), which is surprising because GAs have previously performed well on robot locomotion tasks Clune et al. (2011); Huizinga et al. (2016). Future research is required to understand why. ",
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+ "type": "text",
+ "text": "5 DISCUSSION ",
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+ "text": "The surprising success of the GA and RS in domains thought to require at least some degree of gradient estimation suggests some heretofore under-appreciated aspects of high-dimensional search spaces. They imply that densely sampling in a region around the origin is sufficient in some cases to find far better solutions than those found by state-of-the-art, gradient-based methods even with far more computation or wall-clock time, suggesting that gradients do not point to these solutions, or that other optimization issues interfere with finding them, such as saddle points or noisy gradient estimates. The GA results further suggest that sampling in the region around good solutions is often sufficient to find even better solutions, and that a sequence of such discoveries is possible in many challenging domains. That result in turn implies that the distribution of solutions of increasing quality is unexpectedly dense, and that you do not need to follow a gradient to find them. ",
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+ "text": "Another, non-mutually exclusive hypothesis, is that GAs (and ES) have improved performance due to temporally extended exploration Osband et al. (2016), meaning they explore consistently because all actions in an episode are a function of the same set of mutated parameters, which improves exploration Plappert et al. (2017). This helps exploration for two reasons: (1) an agent takes the same action (or has the same distribution over actions) each time it visits the same state, which makes it easier to learn whether the policy in that state is advantageous, and (2) the agent is also more likely to have correlated actions across states (e.g. always go up) because mutations to its internal representations can affect the actions taken in many states similarly. ",
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+ "text": "Perhaps more interesting is the result that sometimes it is actually worse to follow the gradient than sample locally in the parameter space for better solutions. This scenario probably does not hold in all domains, or even in all the regions of a domain where it sometimes holds, but that it holds at all expands our conceptual understanding of the viability of different kinds of search operators. A reason GA might outperform gradient-based methods is if local optima are present, as it can jump over them in the parameter space, whereas a gradient method cannot (without additional optimization tricks such as momentum, although we note that ES utilized the modern ADAM optimizer in these experiments Kingma and Ba (2014), which includes momentum). One unknown question is whether GA-style local, gradient-free search is better early on in the search process, but switching to a gradient-based search later allows further progress that would be impossible, or prohibitively computationally expensive, for a GA to make. Another unknown question is the promise of simultaneously hybridizing GA methods with modern algorithms for deep RL, such as Q-learning, policy gradients, or evolution strategies. ",
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+ "text": "We still know very little about the ultimate promise of GAs versus competing algorithms for training deep neural networks on reinforcement learning problems. Additionally, here we used an extremely simple GA, but many techniques have been invented to improve GA performance Eiben et al. (2003); Haupt and Haupt (2004), including crossover Holland (1992); Deb and Myburgh (2016), indirect encoding Stanley (2007); Stanley et al. (2009); Clune et al. (2011), and encouraging quality diversity Mouret and Clune (2015); Pugh et al. (2016), just to name a few. Moreover, many techniques have been invented that dramatically improve the training of DNNs with backpropagation, such as residual networks He et al. (2015), SELU or RELU activation functions Krizhevsky et al. (2012); Klambauer et al. (2017), LSTMs or GRUs Hochreiter and Schmidhuber (1997); Cho et al. (2014), regularization Hoerl and Kennard (1970), dropout Srivastava et al. (2014), and annealing learning rate schedules Robbins and Monro (1951). We hypothesize that many of these techniques will also improve neuroevolution for large DNNs. ",
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+ "text": "Some of these enhancements may improve the GA performance on Humanoid Locomotion. For example, indirect encoding, which allows genomic parameters to affect multiple weights in the final neural network (in a way similar to convolution’s tied weights, but with far more flexibility), has been shown to dramatically improve performance and data efficiency when evolving robot gaits Clune et al. (2011). Those results were found with the HyperNEAT algorithm Stanley et al. (2009), which has an indirect encoding that abstracts the power of developmental biology Stanley (2007), and is a particularly promising direction for Humanoid Locomotion and Atari we are investigating. ",
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+ "text": "It will further be interesting to learn on which domains Deep GA tends to perform well or poorly and understand why. Also, GAs could help in other non-differentiable domains, such as architecture search Liu et al. (2017); Miikkulainen et al. (2017) and for training limited precision (e.g. binary) neural networks. ",
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+ "text": "6 CONCLUSION ",
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+ "text": "Our work introduces a Deep GA that competitively trains deep neural networks for challenging RL tasks, and an encoding technique that enables efficient distributed training and a state-of-the-art compact network encoding. We found that the GA is fast, enabling training Atari in ${ \\sim } 4 \\mathrm { h }$ on a single workstation or ${ \\sim } 1 \\mathrm { h }$ distributed on 720 CPUs. We documented that GAs are surprisingly competitive with popular algorithms for deep reinforcement learning problems, such as DQN, A3C, and ES, especially in the challenging Atari domain. We also showed that interesting algorithms developed in the neuroevolution community can now immediately be tested with deep neural networks, by showing that a Deep GA-powered novelty search can solve a deceptive Atari-scale game. It will be interesting to see future research investigate the potential and limits of GAs, especially when combined with other techniques known to improve GA performance. More generally, our results continue the story – started by backprop and extended with ES – that old, simple algorithms plus modern amounts of computation can perform amazingly well. That raises the question of what other classic algorithms should be revisited. ",
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+ "text": "REFERENCES ",
+ "text_level": 1,
+ "bbox": [
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+ ],
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+ },
+ {
+ "type": "text",
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Evolving a diversity of virtual creatures through novelty search and local competition. In GECCO, pages 211–218, Dublin, Ireland, 12-16 July 2011a. ACM. ISBN 978-1-4503-0557-0. doi: 10.1145/2001576.2001606. \nKenneth O. Stanley, David B. D’Ambrosio, and Jason Gauci. A hypercube-based indirect encoding for evolving large-scale neural networks. Artificial Life, 15(2):185–212, 2009. \nJean-Baptiste Mouret and Jeff Clune. Illuminating search spaces by mapping elites. ArXiv e-prints, abs/1504.04909, 2015. URL anonymous. \nJohn H Holland. Genetic algorithms. Scientific american, 267(1):66–73, 1992. \nAgoston E Eiben, James E Smith, et al. Introduction to evolutionary computing, volume 53. Springer, 2003. \nJoel Lehman and Kenneth O. Stanley. Abandoning objectives: Evolution through the search for novelty alone. Evolutionary Computation, 19(2):189–223, 2011b. \nDan Horgan, John Quan, David Budden, Gabriel Barth-Maron, Matteo Hessel, Hado van Hasselt, and David Silver. Distributed prioritized experience replay. arXiv preprint arXiv:1803.00933, 2018. \nArun Nair, Praveen Srinivasan, Sam Blackwell, Cagdas Alcicek, Rory Fearon, Alessandro De Maria, Vedavyas Panneershelvam, Mustafa Suleyman, Charles Beattie, Stig Petersen, et al. Massively parallel methods for deep reinforcement learning. arXiv preprint arXiv:1507.04296, 2015. \nHado Van Hasselt, Arthur Guez, and David Silver. Deep reinforcement learning with double qlearning. In AAAI, pages 2094–2100, 2016. \nZiyu Wang, Tom Schaul, Matteo Hessel, Hado Van Hasselt, Marc Lanctot, and Nando De Freitas. Dueling network architectures for deep reinforcement learning. arXiv preprint arXiv:1511.06581, 2015. \nTom Schaul, John Quan, Ioannis Antonoglou, and David Silver. Prioritized experience replay. arXiv preprint arXiv:1511.05952, 2015. \nMarc G Bellemare, Will Dabney, and Remi Munos. A distributional perspective on reinforcement ´ learning. arXiv preprint arXiv:1707.06887, 2017. \nMeire Fortunato, Mohammad Gheshlaghi Azar, Bilal Piot, Jacob Menick, Ian Osband, Alex Graves, Vlad Mnih, Remi Munos, Demis Hassabis, Olivier Pietquin, et al. Noisy networks for exploration. arXiv preprint arXiv:1706.10295, 2017. \nJoost Huizinga, Jean-Baptiste Mouret, and Jeff Clune. Does aligning phenotypic and genotypic modularity improve the evolution of neural networks? In GECCO, pages 125–132. ACM, 2016. \nIan Osband, Charles Blundell, Alexander Pritzel, and Benjamin Van Roy. Deep exploration via bootstrapped dqn. In NIPS, pages 4026–4034, 2016. \nMatthias Plappert, Rein Houthooft, Prafulla Dhariwal, Szymon Sidor, Richard Y Chen, Xi Chen, Tamim Asfour, Pieter Abbeel, and Marcin Andrychowicz. Parameter space noise for exploration. arXiv preprint arXiv:1706.01905, 2017. \nDiederik Kingma and Jimmy Ba. Adam: A method for stochastic optimization. arXiv preprint arXiv:1412.6980, 2014. \nKalyanmoy Deb and Christie Myburgh. Breaking the billion-variable barrier in real-world optimization using a customized evolutionary algorithm. In GECCO, pages 653–660. ACM, 2016. \nKenneth O. Stanley. Compositional pattern producing networks: A novel abstraction of development. Genetic Programming and Evolvable Machines Special Issue on Developmental Systems, 8(2):131–162, 2007. \nJustin K Pugh, Lisa B. Soros, and Kenneth O. Stanley. Quality diversity: A new frontier for evolutionary computation. 3(40), 2016. ISSN 2296-9144. URL anonymous. \nKaiming He, Xiangyu Zhang, Shaoqing Ren, and Jian Sun. Deep residual learning for image recognition. arXiv preprint arXiv:1512.03385, 2015. \nGunter Klambauer, Thomas Unterthiner, Andreas Mayr, and Sepp Hochreiter. Self-normalizing ¨ neural networks. arXiv preprint arXiv:1706.02515, 2017. \nSepp Hochreiter and Jurgen Schmidhuber. Long short-term memory. ¨ Neural computation, 9(8): 1735–1780, 1997. \nKyunghyun Cho, Bart Van Merrienboer, Dzmitry Bahdanau, and Yoshua Bengio. On the properties ¨ of neural machine translation: Encoder-decoder approaches. arXiv preprint arXiv:1409.1259, 2014. \nArthur E Hoerl and Robert W Kennard. Ridge regression: Biased estimation for nonorthogonal problems. Technometrics, 12(1):55–67, 1970. \nNitish Srivastava, Geoffrey Hinton, Alex Krizhevsky, Ilya Sutskever, and Ruslan Salakhutdinov. Dropout: A simple way to prevent neural networks from overfitting. The Journal of Machine Learning Research, 15(1):1929–1958, 2014. \nHerbert Robbins and Sutton Monro. A stochastic approximation method. The annals of mathematical statistics, pages 400–407, 1951. \nHanxiao Liu, Karen Simonyan, Oriol Vinyals, Chrisantha Fernando, and Koray Kavukcuoglu. Hierarchical representations for efficient architecture search. arXiv preprint arXiv:1711.00436, 2017. \nRisto Miikkulainen, Jason Liang, Elliot Meyerson, Aditya Rawal, Dan Fink, Olivier Francon, Bala Raju, Arshak Navruzyan, Nigel Duffy, and Babak Hodjat. Evolving deep neural networks. arXiv preprint arXiv:1703.00548, 2017. \nTim Salimans, Ian Goodfellow, Wojciech Zaremba, Vicki Cheung, Alec Radford, and Xi Chen. Improved techniques for training gans. In NIPS, pages 2234–2242, 2016. \nSergey Ioffe and Christian Szegedy. Batch normalization: Accelerating deep network training by reducing internal covariate shift. ICML, pages 448–456. JMLR.org, 2015. \nXavier Glorot and Yoshua Bengio. Understanding the difficulty of training deep feedforward neural networks. In ICAI, pages 249–256, 2010. \nJoel Lehman, Jay Chen, Jeff Clune, and Kenneth O. Stanley. ES is more than just a traditional finite-difference approximator. arXiv preprint arXiv:1712.06568, 2017. \nEdoardo Conti, Vashisht Madhavan, Felipe Petroski Such, Joel Lehman, Kenneth O. Stanley, and Jeff Clune. Improving exploration in evolution strategies for deep reinforcement learning via a population of novelty-seeking agents. arXiv preprint arXiv:1712.06560, 2017. \nYuhuai Wu, Elman Mansimov, Roger B Grosse, Shun Liao, and Jimmy Ba. Scalable trust-region method for deep reinforcement learning using kronecker-factored approximation. In NIPS, pages 5285–5294, 2017. \nA. Cully, J. Clune, D. Tarapore, and J.-B. Mouret. Robots that can adapt like animals. Nature, 521: 503–507, 2015. doi: 10.1038/nature14422. \nT. Salimans, J. Ho, X. Chen, S. Sidor, and I. Sutskever. Evolution Strategies as a Scalable Alternative to Reinforcement Learning. ArXiv e-prints, 1703.03864, March 2017. ",
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+ "text": "7 SUPPLEMENTARY INFORMATION ",
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+ "text": "The GA is faster than ES for two main reasons: (1) for every generation, ES must calculate how to update its neural network parameter vector $\\theta$ . It does so via a weighted average across many (10,000 in Salimans et al. (2017)) pseudo-offspring (random $\\theta$ perturbations) weighted by their fitness. This averaging operation is slow for large neural networks and large numbers of pseudooffspring (the latter is required for healthy optimization), and is not required for the Deep GA. (2) ES requires virtual batch normalization to generate diverse policies amongst the pseudo-offspring, which is necessary for accurate finite difference approximation Salimans et al. (2016). Virtual batch normalization requires additional forward passes for a reference batch–a random set of observations chosen at the start of training–to compute layer normalization statistics that are then used in the same manner as batch normalization Ioffe and Szegedy (2015). We found that the random GA parameter perturbations generate sufficiently diverse policies without virtual batch normalization and thus avoid these additional forward passes through the network. ",
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+ "table_body": "| Input: mutation function , population size N, number of selected individuals T, policy initial- ization routineΦ, fitness function F. for g=1, 2...,G generations do fori= 1,..,N-1 in next generation's population do if g=1 then Pg=1 = (N(0,I)) {initialize random DNN} else k =uniformRandom(1,T) {select parent} P = ψ(Pg-1) {mutate parent} |
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+ "text": "We use Xavier initialization Glorot and Bengio (2010) as our policy initialization function $\\phi$ where all bias weights are set to zero, and connection weights are drawn from a standard normal distribution with variance $1 / N _ { i n }$ , where $N _ { i n }$ is the number of incoming connections to a neuron. ",
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+ "text": "7.3 ADDITIONAL INFORMATION ABOUT THE DEEP GA COMPACT ENCODING METHOD ",
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+ "text": "The compact encoding technique is based on the principle that the seeds need only be long enough to generate a unique mutation vector per offspring per parent. If any given parent $\\theta ^ { n - 1 }$ produces at most $x$ offspring, then $\\tau _ { n }$ in Eq. 1 can be as small as a $l o g _ { 2 } ( x )$ -bit number. $\\tau _ { 0 }$ is a special case that needs one unique seed for each of the $\\textit { N } \\theta$ vectors in generation 0, and can thus be encoded with $l o g _ { 2 } ( N )$ bits. The reason the seed bit-length can be vastly smaller than the search space size is because not every point in the search space is a possible offspring of $\\theta ^ { n }$ , and we only need to be able generate offspring randomly (we do not need to be able to reach any point in the search space ",
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+ "text": "Algorithm 2 Novelty Search (GA-NS) ",
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+ "text": "Input: mutation function $\\psi$ , population size $N$ , number of selected individuals $T$ , policy initialization routine $\\phi$ , empty archive $\\mathcal { A }$ , archive insertion probability $p$ , a novelty function $\\eta$ , a behavior characteristic function $B C$ . ",
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+ "text": "for $g = 1 , 2 . . . , G$ generations do for $i = 2 , . . . , N$ in next generation’s population do if $g = 1$ then $\\mathcal { P } _ { i } ^ { g = 1 } = \\phi ( \\mathcal { N } ( 0 , I ) )$ {initialize random DNN} else $k =$ uniformRandom $( 1 , T )$ {select parent} $\\mathcal { P } _ { i } ^ { g } = \\psi ( \\mathcal { P } _ { k } ^ { g - 1 } )$ {mutate parent} end if $B C _ { i } ^ { g } = B C ( \\mathcal { P } _ { i } ^ { g } )$ end for Copy $\\mathcal { P } _ { 1 } ^ { g } \\mathcal { P } _ { 1 } ^ { g - 1 }$ ; $B C _ { 1 } ^ { g } B C _ { 1 } ^ { g - 1 }$ for $i = 1 , . . . , N$ in next generation’s population do Evaluate $F _ { i } = \\eta ( B C _ { i } ^ { \\check { g } } , ( A \\cup B C ^ { \\hat { g } } ) \\overset { \\cdot } { - } \\{ B C _ { i } ^ { g } \\} )$ if $i > 1$ then Add $B C _ { i } ^ { g }$ to $\\mathcal { A }$ with probability $p$ end if end for Sort $\\mathcal { P } _ { i } ^ { g }$ with descending order by $F _ { i }$ \nend for \nReturn: Elite ",
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+ "table_body": "| Hyperparameter | Humanoid Locomotion | Image Hard Maze | Atari |
| Population Size (N) | 12,500+1 | 20,000+1 | 1,000+1 |
| Mutation Power (σ) | 0.00224 | 0.005 | 0.002 |
| Truncation Size (T) | 625 | 61 | 20 |
| Numberof Trials | 5 | 1 | 1 |
| Archive Probability | | 0.01 | |
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+ "text": "Table 2: Hyperparameters. Population sizes are incremented to account for elites $( + 1 )$ . Many of the unusual numbers were found via preliminary hyperparameter searches in other domains. ",
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+ "text": "in one random step). However, because we perform $n$ random mutations to produce $\\theta ^ { n }$ , the process can reach many points in the search space. ",
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+ "text": "However, to truly be able to reach every point in the search space we need our set of mutation vectors to span the search space, meaning we need the seed to be at least $l o g _ { 2 } ( | \\theta | )$ bits. To do so we can use a function $\\mathcal { H } ( \\theta , \\tau )$ that maps a given $( \\theta , \\tau _ { n } )$ -pair to a new seed and applies it as such: ",
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+ "text": "$$\n\\psi ( \\theta ^ { n - 1 } , \\tau _ { n } ) = \\theta ^ { n - 1 } + \\varepsilon ( \\mathcal { H } ( \\theta ^ { n - 1 } , \\tau _ { n } ) )\n$$",
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+ "text": "For temporal context, the current frame and previous three frames are all input at each timestep, following Mnih et al. (2015). The outputs remain the same as in the original Hard Maze problem formulation in Lehman and Stanley (2011b). Unlike the Atari domain, the Image Hard Maze environment is deterministic and does not need multiple evaluations of the same policy. ",
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+ "text": "Following Lehman and Stanley (2011b), the BC is the $( x , y )$ position of the robot at the end of the episode (400 timesteps), and the behavioral distance function is the squared Euclidean distance between these final $( x , y )$ positions. The simulator ignores forward or backward motion that would result in the robot penetrating walls, preventing a robot from sliding along a wall, although rotational motor commands still have their usual effect in such situations. ",
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+ "Table 3: The number of generations at which the GA reached 6B frames. "
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+ "table_body": "| Game | Minimum Generations | Median Generations | Maximum Generations |
| amidar | 1325 | 1364 | 1541 |
| assault | 501 | 707 | 1056 |
| asterix | 494 | 522 | 667 |
| asteroids | 1096 | 1209 | 1261 |
| atlantis | 507 | 560 | 580 |
| enduro | 348 | 348 | 348 |
| frostbite | 889 | 1016 | 1154 |
| gravitar | 1706 | 1755 | 1834 |
| kangaroo | 688 | 787 | 862 |
| seaquest | 660 | 678 | 714 |
| skiing | 933 | 1237 | 1281 |
| venture | 527 | 606 | 680 |
| zaxxon | 765 | 810 | 823 |
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+ "Figure 1: Visual representation of the Deep GA encoding method. From a randomly initialized parameter vector $\\theta ^ { 0 ^ { \\circ } }$ (produced by an initialization function $\\phi$ seeded by $\\tau _ { 0 }$ ), the mutation function $\\psi$ (seeded by $\\tau _ { 1 }$ ) applies a mutation that results in $\\theta ^ { 1 }$ . The final parameter vector $\\theta ^ { g }$ is the result of a series of such mutations. Recreating $\\theta ^ { g }$ can be done by applying the mutation steps in the same order. Thus, knowing the series of seeds $\\tau _ { 0 } . . . \\tau _ { g }$ that produced this series of mutations is enough information to reconstruct $\\theta ^ { g }$ (the initialization and mutation functions are deterministic). Since each $\\tau$ is small (here, 28 bits long), and the number of generations is low (order hundreds or thousands), a large neural network parameter vector can be stored compactly. "
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+ "text": "This experiment seeks to demonstrate a benefit of GAs working at DNN scales, which is that algorithms that were developed to improve GAs can be immediately taken off the shelf to improve DNN training. The example algorithm is novelty search (NS), which is a popular evolutionary method for exploration in RL Lehman and Stanley (2011b). ",
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+ "text": "NS was originally motivated by the Hard Maze domain Lehman and Stanley (2011b), which is a staple in the neuroevolution community. It demonstrates the problem of local optima (aka deception) in reinforcement learning. In it, a robot receives more reward the closer it gets to the goal as the crow flies. The problem is deceptive because greedily getting closer to the goal leads an agent to permanently get stuck in one of the map’s deceptive traps (Fig. 5, Left). Optimization algorithms that do not conduct sufficient exploration suffer this fate. NS solves this problem because it ignores the reward and encourages agents to visit new places Lehman and Stanley (2011b). ",
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+ "Figure 2: GA and random search performance across generations on Atari 2600 games. The performance of the GA and random search compared to DQN, A3C, and ES depends on the game. We plot final scores (as dashed lines) for DQN, A3C, and ES because we do not have their performance values across training and because they trained on different numbers of game frames (SI Table 1). For GA and RS, we report the median and $9 5 \\%$ bootstrapped confidence intervals of the median across 5 experiments of the current elite per run, where the score for each elite is a mean of 30 independent episodes. "
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+ "text": "The original version of this problem involves only a few inputs (radar sensors to sense walls) and two continuous outputs for speed (forward or backward) and rotation, making it solvable by small neural networks (tens of connections). Because here we want to demonstrate the benefits of NS at the scale of deep neural networks, we introduce a new version of the domain called Image Hard Maze. Like many Atari games, it shows a bird’s-eye view of the world to the agent in the form of an $8 4 \\times 8 4$ pixel image (Fig. 5, Left). This change makes the problem easier in some ways (e.g. now it is fully observable), but harder in others because it is much higher-dimensional: the neural network must learn to process this pixel input and take actions. SI Sec. 7.4 has additional experimental details. ",
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+ "text": "We confirm that the results that held for small neural networks on the original, radar-based version of this task also hold for the high-dimensional, visual version of this task with deep neural networks. With a $^ { 4 \\mathbf { M } + }$ parameter network processing pixels, the GA-based novelty search (GA-NS) is able to solve the task by finding the goal (Fig. 5). The GA optimizes for reward only and, as expected, gets stuck in the local optima of Trap 2 (SI Fig. 4) and thus fails to solve the problem (Fig. 5), significantly underperforming GA-NS $( p \\ < 0 . 0 0 1 )$ . Our results confirm that we are able to use exploration methods such as novelty search to solve this sort of deception, even in high-dimensional problems such as those involving learning directly from pixels. This is the largest neural network optimized by novelty search to date by three orders of magnitude. In a paper published concurrently with ours, Conti et al. (2017) demonstrate a similar finding, by hybridizing novelty search with ES to create NS-ES, and show that it too can help deep neural networks avoid deception in challenging RL benchmark domains. ",
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+ "Figure 3: Example of high-performing individual on Frostbite found through random search. See main text for a description of the behavior of this policy. Its final score is 3,620 in this episode, which is far higher than the scores produced by DQN, A3C and ES, although not as high as the score found by the GA (Table 1). "
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+ "text": "As expected, ES also fails to solve the task because it focuses solely on maximizing reward (Fig. 5 & SI Fig. 4). We also test Q-learning (DQN) and policy gradients on this problem. We did not have source code for A3C, but were able to obtain source code for A2C, which has similar performance Wu et al. (2017): the only difference is that it is synchronous instead of asynchronous. For these experiments we modified the rewards of the domain to step-by-step rewards (the negative change in distance to goal since the last time-step), but for plotting purposes, we record the final distance to the goal. Having per-step rewards is standard for these algorithms and provides more information, but does not remove the deception. Because DQN requires discrete outputs, for it we discretize each of the two continuous outputs into to five equally sized bins. To enable all possible output combinations, it learns $5 ^ { 2 } = 2 5$ Q-values. ",
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+ "text": "Also as expected, DQN and A2C fail to solve this problem (Fig. 5, SI Fig. 4). Their default exploration mechanisms are not enough to find the global optimum given the deceptive reward function in this domain. DQN is drawn into the expected Trap 2. For unclear reasons, even though A2C visits Trap 2 often early in training, it converges on getting stuck in a different part of the maze. Of course, exploration techniques could be added to these controls to potentially make them perform as well as GA-NS. Here we only sought to show that the Deep GA allows algorithms developed for small-scale neural networks can be harnessed on hard, high-dimensional problems that require DNNs. ",
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+ "text": "In future work, it will be interesting to combine NS with a Deep GA on more domains, including Atari and robotics domains. More importantly, our demonstration suggests that other algorithms that enhance GAs can now be combined with DNNs. Perhaps most promising are those that combine a notion of diversity (e.g. novelty) and quality (i.e. being high performing), seeking to collect a set of high-performing, yet interestingly different policies Mouret and Clune (2015); Lehman and Stanley (2011a); Cully et al. (2015); Pugh et al. (2016). The results also motivate future research into combining deep RL algorithms (e.g. DQN, A3C) with novelty search and quality diversity algorithms. ",
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+ "text": "7.6 HUMANOID LOCOMOTION ",
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+ "text": "We tested the GA on a challenging continuous control problem, specifically humanoid locomotion. We test with the MuJoCo Humanoid-v1 environment in OpenAI Gym Todorov et al. (2012); Brockman et al. (2016), which involves a simulated humanoid robot learning to walk. Solving this problem has validated modern, powerful algorithms such as A3C Mnih et al. (2016), TRPO Schulman et al. (2015), and ES Salimans et al. (2017). ",
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+ "text": "This problem involves mapping a vector of 376 scalars that describe the state of the humanoid (e.g. its position, velocity, angle) to 17 joint torques. The robot receives a scalar reward that is a combination of four components each timestep. It gets positive reward for standing and its velocity in the positive $x$ direction, and negative reward the more energy it expends and for how hard it impacts the ground. These four terms are summed over every timestep in an episode to calculate the total reward. ",
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+ "text": "To stabilize training, we normalize each dimension of the input by subtracting its mean and dividing by its standard deviation, which are computed from executing 10,000 random policies in the environment. We also applied annealing to the mutation power $\\sigma$ , decreasing it to 0.001 after 1,000 generations, which resulted in a small performance boost at the end of training. The full set of hyperparameters are listed in SI Table 2. ",
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+ "text": "For these experiments we ran 5 independent, randomly initialized, runs and report the median of those runs. During the elite selection routine we did not reevaluate offspring 30 times like on the Atari experiments. That is because we ran these experiments before the Atari experiments, and we improved our evaluation methods after these experiments were completed. We did not have the computational resources to re-run these experiments with the changed protocol, but we do not believe this change would qualitatively alter our results. We also used the normalized columns initialization routine of Salimans et al. (2017) instead of Xavier initialization, but we found them to perform qualitatively similarly. When determining the fitness of each agent we evaluate the mean over 5 independent episodes. After each generation, for plotting purposes only, we evaluate the elite 30 times. ",
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+ "text": "The architecture has two 256-unit hidden layers with tanh activation functions. This architecture is the one in the configuration file included in the source code released by Salimans et al. (2017). The architecture described in their paper is similar, but smaller, having 64 neurons per layer Salimans et al. (2017). Although relatively shallow by deep learning standards, and much smaller than the Atari DNNs, this architecture still contains ${ \\sim } 1 6 7 \\mathrm { k }$ parameters, which is orders of magnitude greater than the largest neural networks evolved for robotics tasks that we are aware of, which contained 1,560 Huizinga et al. (2016) and before that 800 parameters Clune et al. (2011). Many assumed evolution would fail at larger scales (e.g. networks with hundreds of thousands or millions of weights, as in this paper). ",
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+ "text": "Previous work has called the Humanoid-v1 problem solved with a score of ${ \\sim } 6 { , } 0 0 0$ Salimans et al. (2017). The GA achieves a median above that level after $\\sim 1 { , } 5 0 0$ generations. However, it requires far more computation than ES to do so (ES requires ${ \\sim } 1 0 0$ generations for median performance to surpass the 6,000 threshold). It is not clear why the GA requires so much more computation, especially given how quickly the GA found high-performing policies in the Atari domain. It is also surprising that the GA does not excel at this domain, given that GAs have performed well in the past on robot control tasks Clune et al. (2011). While the GA needs far more computation in this domain, it is interesting nevertheless that it does eventually solve it by producing an agent that can walk and score over 6,000. Considering its very fast discovery of high-performing solutions in Atari, clearly the GA’s advantage versus other methods depends on the domain, and understanding this dependence is an important target for future research. ",
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+ "text": "7.7 THE MEANING OF “FRAMES” ",
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+ "text": "Many papers, including ours, report the number of “frames” used during training. However, it is a bit unclear in the literature what is meant exactly by this term. We hope to introduce some terminology that can lend clarity to this confusing issue, which will improve reproducibility and our ability to compare algorithms fairly. Imagine if the Atari-emulator emitted 4B frames during training. We suggest calling these “game frames.” One could sub-sample every 4th frame (indeed, due to “frame skip”, most Atari papers do exactly this, and repeat the previous action for each skipped frame), resulting in 1B frames. We suggest calling these 1B frames “training frames”, as these are the frames the algorithm is trained on. In our paper we report the game frames used by each algorithm. Via personal communication with scientists at OpenAI and DeepMind, we confirmed that we are accurately reporting the number of frames (and that they are game frames, not training frames) used by DQN, A3C, and ES in Mnih et al. (2015), Mnih et al. (2016), and Salimans et al. (2017), respectively. ",
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+ "Table 4: Head-to-head comparison between algorithms on the 13 Atari games. Each value represents how many games for which the algorithm listed at the top of a column produces a higher score than the algorithm listed to the left of that row (e.g. GA 6B beats DQN on 7 games). "
+ ],
+ "table_footnote": [],
+ "table_body": " | DQN | ES | A3C | RS 1B | GA 1B | GA 6B |
| DQN | | 6 | 6 | 3 | 6 | 7 |
| ES | 7 | | 7 | 3 | 6 | 8 |
| A3C | 7 | 6 | | 6 | 6 | 7 |
| RS1B | 10 | 10 | 7 | | 13 | 13 |
| GA 1B | 7 | 7 | 7 | 0 | | 13 |
| GA 6B | 6 | 5 | 6 | 0 | 0 | |
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+ "text": "There is one additional clarification. In all of the papers just mentioned and for the GA in this paper, the input to the network for Atari is the current framet and three previous frames. These three previous frames are from the training frame set, meaning that if $t$ counts each game frame then the input to the network is the following: game framet, frame $\\mathrm { : _ { t - 4 } }$ , framet-8, and framet-12. ",
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+ "text": "7.8 EXPERIMENTS ON AN EXPANDED SET OF ATARI GAMES AND COMPARISONS AGAINST MODERN, POWERFUL DQN VARIANTS (RAINBOW AND APE-X) ",
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+ "text": "To test whether our results hold on a larger set of Atari games, we extended our experiments to the full 57-game set of Atari games used in two recent, famous papers that described enhancements to DQN, each of which improved the state of the art when published: Rainbow Hessel et al. (2017) and an algorithm that came out after our paper was published on arXiv, Ape-X Horgan et al. (2018). Two of the games did not run due to a bug in OpenAI’s Gym Brockman et al. (2016), leaving us with 55 total games. This set is a superset of the games from Mnih et al. (2015). We also added performance comparisons to two strong, recent DQN variants. For these experiments, the score within each run was a median over many (200) evaluations of the policy, instead of the mean (as done for our original 13 games), which we switched to because it is more robust to outliers: doing so lowers the scores somewhat because extreme outliers tend to be very high scores. The results can be seen in Table 5 and head-to-head tallies are in Table 6. ",
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+ "text": "On this much larger set of games, the overall qualitative conclusions of our paper remain unchanged: the simple GA is roughly even with simple RL algorithms such as A3C and DQN, and ES, in that all of these algorithms can learn to play many Atari games well, and each is best on a subset of the games. The GA, which most assumed would not work at all at optimizing large, deep, multimillion parameter neural networks, especially in comparison to DQN and A3C, achieves superior performance to DQN and A3C on $43 \\%$ (22 of 51, tying on 1) and $49 \\%$ (27 of 55) games, respectively. Additionally, the GA achieves state of the art results on 6 games (bowling, centipede, private eye, skiing, solaris). The GA also also exhibits super-human performance on $43 \\%$ of games (and is the only algorithm we are aware of with super-human performance on bowling). Each game is idiosyncratic, and could be considered a separate domain. Because the GA is roughly as good as some of the most famous Deep RL algorithms (DQN, A3C, and ES), and far better on some games, it is a valuable additional tool to have in our toolbox. When compared against Rainbow Hessel et al. (2017), which combines many of the best innovations built on top of DQN over years by a large research community, the GA still performs better on some games (it wins 11 of 52, ties on 2, and loses on 39: Table 6). The same is true when comparing against the Ape-X algorithm Horgan et al. (2018), which is a very recent, powerful version of prioritized DQN Schaul et al. (2015) (prioritized DQN is already an important improvement over the simple DQN) with a large number of distributed data-gathering agents each running epsilon-greedy exploration with different epsilons: the large amount of data generated and the different epsilons help with exploration and learning. Ape-X still underperforms the GA on 7 games. As discussed at more length in the main text, the Deep GA thus provides an interesting alternative algorithm to have added to the toolbox for deep RL problems: It may be practically helpful on any given domain, raises interesting new research questions into why it succeeds where other algorithms fail (and vice versa), and because we tested such a simple GA it is still unknown how its performance will compare to other algorithms once enhancements known to improve GA performance Fogel and Stayton (1994); Haupt and Haupt (2004); Clune et al. (2011); Mouret and Doncieux (2009); Lehman and Stanley (2011a); Stanley et al. (2009); Mouret and Clune (2015) are added to it. ",
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+ "image_caption": [
+ "Figure 4: How different algorithms explore the deceptive Image Hard Maze over time. Traditional reward-maximization algorithms do not exhibit sufficient exploration to avoid the local optimum (of going up into Trap 2, as shown in Fig. 5). In contrast, a GA optimizing for novelty only (GA-NS) explores the entire environment and ultimately finds the goal. For the evolutionary algorithms (GA-NS, GA, ES), blue crosses represent the population (pseudo-offspring for ES), red crosses represent the top $T$ GA offspring, orange dots represent the final positions of GA elites and the current mean ES policy, and the black crosses are entries in the GA-NS archive. All 3 evolutionary algorithms had the same number of evaluations, but ES and the GA have many overlapping points because they revisit locations due to poor exploration, giving the illusion of fewer evaluations. For DQN and A2C, we plot the end-of-episode position of the agent for each of the 20K episodes prior to the checkpoint listed above the plot. It is surprising that ES significantly underperforms the GA $( p < 0 . 0 0 1 )$ . In 8 of 10 runs it gets stuck near Trap 1, not because of deception, but instead seemingly because it cannot reliably learn to pass through a small bottleneck corridor. This phenomenon has never been observed with population-based GAs on the Hard Maze, suggesting the ES (at least with these hyperparameters) is qualitatively different than GAs in this regard Lehman et al. (2017). We believe this difference occurs because ES optimizes for the average reward of the population sampled from a probability distribution. Even if the maximum fitness of agents sampled from that distribution is higher further along a corridor, ES will not move in that direction if the population average is lower (e.g. if other policies sampled from the distribution crash into the walls, or experience other low-reward fates) Lehman et al. (2017). Note, however, that even when ES moved through this bottleneck (2 out of 10 runs), because it is solely reward-driven, it got stuck in Trap 2. "
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+ "Figure 5: Image Hard Maze Domain and Results. Left: A small wheeled robot must navigate to the goal with this bird’s-eye view as pixel inputs. The robot starts in the bottom left corner facing right. Right: novelty search can train deep neural networks to avoid local optima that stymie other algorithms. The GA, which solely optimizes for reward and has no incentive to explore, gets stuck on the local optimum of Trap 2. The GA optimizing for novelty (GA-NS) is encouraged to ignore reward and explore the whole map, enabling it to eventually find the goal. ES performs even worse than the GA, as discussed in the main text. DQN and A2C also fail to solve this task. For ES, the performance of the mean $\\theta$ policy each iteration is plotted. For GA and GA-NS, the performance of the highest-scoring individual per generation is plotted. Because DQN and A2C do not have the same number of evaluations per iteration as the evolutionary algorithms, we plot their final median reward as dashed lines. SI Fig. 4 shows the behavior of these algorithms during training. "
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+ "Table 5: Extended Atari results. For SOTA counts, we include ties as a point in that column (e.g. Rainbow, ES, and the GA get a point for Pitfall). Games for which scores are not reported in other papers are left blank and do not factor into head-to-head tallies. 22 "
+ ],
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+ "table_body": " | Human | DQN | Rainbow | Ape-X | A3C | ES | GA 6B |
| alien | 6,875.0 | 1,620.0 | 9,491.7 | 40,804.9 | 518.4 | | 1,990.0 |
| amidar | 1,676.0 | 978.0 | 5,131.2 | 8,659.2 | 263.9 | 112.0 | 370.0 |
| assault | 1,496.0 | 4,280.0 | 14,198.5 | 24,559.4 | 5,474.9 | 1,673.9 | 898.0 |
| asterix | 8,503.0 | 4,359.0 | 428,200.3 | 313,305.0 | 22,140.5 | 1,440.0 | 1,800.0 |
| asteroids | 13,157.0 | 1,364.5 | 2,712.8 | 155,495.1 | 4,474.5 | 1,562.0 | 1,940.0 |
| atlantis | 29,028.0 | 279,987.0 | 826,659.5 | 944,497.5 | 911,091.0 | 1,267,410.0 | 57,300.0 |
| bank_heist | 734.4 | 455.0 | 1,358.0 | 1,716.4 | 970.1 | 225.0 | 270.0 |
| battle_zone | 37,800.0 | 29,900.0 | 62,010.0 | 98,895.0 | 12,950.0 | 16,600.0 | 25,000.0 |
| beam_rider | 5,775.0 | 8,627.5 | 16,850.2 | 63,305.2 | 22,707.9 | 744.0 | 756.0 |
| berzerk | | 585.6 | 2,545.6 | 57,196.7 | 817.9 | 686.0 | 1,440.0 |
| bowling | 154.8 | 50.4 | 30.0 | 17.6 | 35.1 | 30.0 | 197.0 |
| boxing | 4.3 | 88.0 | 99.6 | 100.0 | 59.8 | 49.8 | 64.0 |
| breakout | 31.8 | 385.5 | 417.5 | 800.9 | 681.9 | 9.5 | 10.0 |
| centipede | 11,963.0 | 4,657.7 | 8,167.3 | 12,974.0 | 3,755.8 | 7,783.9 | 14,122.0 |
| chopper_command | 9,882.0 | 6,126.0 | 16,654.0 | 721,851.0 | 7,021.0 | 3,710.0 | 3,500.0 |
| crazy_climber | 35,411.0 | 110,763.0 | 168,788.5 | 320,426.0 | 112,646.0 | 26,430.0 | 38,000.0 |
| demon_attack | 3,401.0 | 12,149.4 | 111,185.2 | 133,086.4 | 113,308.4 | 1,166.5 | 970.0 |
| double_dunk | -15.5 | -6.6 | -0.3 | 23.5 | -0.1 | 0.2 | 0.0 |
| enduro | 309.6 | 729.0 | 2,125.9 | 2,177.4 | -82.5 | 95.0 | 51.0 |
| fishing_derby | 5.5 | -4.9 | 31.3 | 44.4 | 18.8 | 49.0 | -33.0 |
| freeway | 29.6 | 30.8 | 34.0 | 33.7 | 0.1 | 31.0 | 26.0 |
| frostbite | 4,335.0 | 797.4 | 9,590.5 | 9,328.6 | 190.5 | 370.0 | 4,460.0 |
| gopher | 2,321.0 | 8,777.4 | 70,354.6 | 120,500.9 | 10,022.8 | 582.0 | 1,200.0 |
| gravitar | 2,672.0 | 473.0 | 1,419.3 | 1,598.5 | 303.5 | 805.0 | 700.0 |
| hero | 25,763.0 | 20,437.8 | 55,887.4 | 31,655.9 | 32,464.1 | | 18,220.0 |
| ice_hockey | 0.9 | -1.9 | 1.1 | 33.0 | -2.8 | 4.1 | 2.0 |
| jamesbond | 406.7 | | | 21,322.5 | 541.0 | | 650.0 |
| kangaroo | 3,035.0 | 7,259.0 | 14,637.5 | 1,416.0 | 94.0 | 11,200.0 | 11,200.0 |
| krull | 2,395.0 | 8,422.3 | 8,741.5 | 11,741.4 | 5,560.0 | 8,647.2 | 10,889.0 |
| kung_fu_master | 22,736.0 | 26,059.0 | 52,181.0 | 97,829.5 | 28,819.0 | | 62,000.0 |
| montezuma_revenge | 4,367.0 | 0.0 | 384.0 | 2,500.0 | 67.0 | 0.0 | 0.0 |
| ms-pacman | 15,693.0 | 3,085.6 | 5,380.4 | 11,255.2 | 653.7 | | 3,410.0 |
| name_this_game | 4,076.0 | 8,207.8 | 13,136.0 | 25,783.3 | 10,476.1 | 4,503.0 | 7,210.0 |
| phoenix | | 8,485.2 | 108,528.6 | 224,491.1 | 52,894.1 | 4,041.0 | 3,810.0 |
| pitfall | | -286.1 | 0.0 | -0.6 | -78.5 | 0.0 | 0.0 |
| pong | 9.3 | 19.5 | 20.3 | 20.9 | 5.6 | 21.0 | -20.0 |
| private_eye | 69,571.0 | 146.7 | 4,234.0 | 49.8 | 206.9 | 100.0 | 15,200.0 |
| qbert | 13,455.0 | 13,117.3 | 33,817.5 | 302,391.3 | 15,148.8 | 147.5 | 5,125.0 |
| riverraid | 13,513.0 | | | 63,864.4 | 12,201.8 | 5,009.0 | 3,410.0 |
| road_runner | 7,845.0 | 39,544.0 | 62,041.0 | 222,234.5 | 34,216.0 | 16,590.0 | 15,900.0 |
| robotank | 11.9 | 63.9 | 61.4 | 73.8 | 32.8 | 11.9 | 16.0 |
| seaquest | 20,182.0 | 5,860.6 | 15,898.9 | 392,952.3 | 2,355.4 | 1,390.0 | 1,020.0 |
| skiing | | -13,062.3 | -12,957.8 | -10,789.9 | -10,911.1 | -15,442.5 | -5,564.0 |
| solaris | | 3,482.8 | 3,560.3 | 2,892.9 | 1,956.0 | 2,090.0 | 7,200.0 |
| space_invaders | 1,652.0 | 1,692.3 | 18,789.0 | 54,681.0 | 15,730.5 | 678.5 | 840.0 |
| star_gunner | 10,250.0 | 54,282.0 | 127,029.0 | 434,342.5 | 138,218.0 | 1,470.0 | 800.0 |
| tennis | -8.9 | 12.2 | 0.0 | 23.9 | -6.3 | 4.5 | 0.0 |
| time_pilot | 5,925.0 | 4,870.0 | 12,926.0 | 87,085.0 | 12,679.0 | 4,970.0 | 16,800.0 174.0 |
| tutankham up_n_down | 167.6 | 68.1 | 241.0 | 272.6 | 156.3 | 130.3 |
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+ "Table 6: Head-to-head comparison between algorithms on Atari games. Values represent the number of wins, losses, and ties between algorithms (e.g. vs. DQN, the GA wins on 22 games, loses on 29, and ties on 1. As discussed in the main text, apples-to-apples comparisons are difficult to make, as different algorithms exhibit different tradeoffs in computation, wall-clock speed, and data efficiency. "
+ ],
+ "table_footnote": [],
+ "table_body": " | Human | DQN | Rainbow | Ape-X | A3C | ES | GA 6B |
| Human DQN | | 22,24, 0 | 37,9,0 48,4,0 | 43,6,0 | 28,21,0 | 15,28,1 18,29,1 | 21,28,0 22,29,1 |
| Rainbow | | | | 48,4,0 43,9,0 | 30,22,0 11,41, 0 | 7,39,2 | 11,39,2 |
| Ape-X | | | | | | 7,43,0 | |
| | | | | 3,52,0 | | 7,48,0 |
| A3C | | | | | | 18,32, 0 | 27,28,0 |
| ES | | | | | | | |
| GA 6B | | | | | | | 28,19,3 |
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| Frames Time | 200M ~7-10d | 1B ~1h | 1B ~4d | ~ 1h or 4h | ~ 1h or 4h | ~ 6h or 24h |
| Forward Passes | 450M | 250M | 250M | 250M | 250M | 1.5B |
| Backward Passes | 400M | 0 | 250M | 0 | 0 | 0 |
| Operations | 1.25B U | 250MU | 1B U | 250MU | 250MU | 1.5B U |
| amidar | 978 | 112 | 264 | 143 | 263 | 377 |
| assault | 4,280 | 1,674 | 5,475 | 649 | 714 | 814 |
| asterix | 4,359 | 1,440 | 22,140 | 1,197 | 1,850 | 2,255 |
| asteroids | 1,365 | 1,562 | 4,475 | 1,307 | 1,661 | 2,700 |
| atlantis | 279,987 | 1,267,410 | 911,091 | 26,371 | 76,273 | 129,167 |
| enduro | 729 | 95 | -82 | 36 | 60 | 80 |
| frostbite | 797 | 370 | 191 | 1,164 | 4,536 | 6,220 |
| gravitar | 473 | 805 | 304 | 431 | 476 | 764 |
| kangaroo | 7,259 | 11,200 | 94 | 1,099 | 3,790 | 11,254 |
| seaquest | 5,861 | 1,390 | 2,355 | 503 | 798 | 850 |
| skiing | -13,062 | -15,443 | -10,911 | -7,679 | -6,502 | -5,541 |
| venture | 163 | 760 | 23 | 488 | 969 | 1,422 |
| zaxxon | 5,363 | 6,380 | 24,622 | 2,538 | 6,180 | 7,864 |
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| Frames Time | 200M ~7-10d | 1B ~1h | 1B ~4d | ~ 1h or 4h | ~ 1h or 4h | ~ 6h or 24h |
| Forward Passes | 450M | 250M | 250M | 250M | 250M | 1.5B |
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| Operations | 1.25B U | 250MU | 1B U | 250MU | 250MU | 1.5B U |
| amidar | 978 | 112 | 264 | 143 | 263 | 377 |
| assault | 4,280 | 1,674 | 5,475 | 649 | 714 | 814 |
| asterix | 4,359 | 1,440 | 22,140 | 1,197 | 1,850 | 2,255 |
| asteroids | 1,365 | 1,562 | 4,475 | 1,307 | 1,661 | 2,700 |
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| skiing | -13,062 | -15,443 | -10,911 | -7,679 | -6,502 | -5,541 |
| venture | 163 | 760 | 23 | 488 | 969 | 1,422 |
| zaxxon | 5,363 | 6,380 | 24,622 | 2,538 | 6,180 | 7,864 |
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| Mutation Power (σ) | 0.00224 | 0.005 | 0.002 |
| Truncation Size (T) | 625 | 61 | 20 |
| Numberof Trials | 5 | 1 | 1 |
| Archive Probability | | 0.01 | |
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| alien | 6,875.0 | 1,620.0 | 9,491.7 | 40,804.9 | 518.4 | | 1,990.0 |
| amidar | 1,676.0 | 978.0 | 5,131.2 | 8,659.2 | 263.9 | 112.0 | 370.0 |
| assault | 1,496.0 | 4,280.0 | 14,198.5 | 24,559.4 | 5,474.9 | 1,673.9 | 898.0 |
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| bank_heist | 734.4 | 455.0 | 1,358.0 | 1,716.4 | 970.1 | 225.0 | 270.0 |
| battle_zone | 37,800.0 | 29,900.0 | 62,010.0 | 98,895.0 | 12,950.0 | 16,600.0 | 25,000.0 |
| beam_rider | 5,775.0 | 8,627.5 | 16,850.2 | 63,305.2 | 22,707.9 | 744.0 | 756.0 |
| berzerk | | 585.6 | 2,545.6 | 57,196.7 | 817.9 | 686.0 | 1,440.0 |
| bowling | 154.8 | 50.4 | 30.0 | 17.6 | 35.1 | 30.0 | 197.0 |
| boxing | 4.3 | 88.0 | 99.6 | 100.0 | 59.8 | 49.8 | 64.0 |
| breakout | 31.8 | 385.5 | 417.5 | 800.9 | 681.9 | 9.5 | 10.0 |
| centipede | 11,963.0 | 4,657.7 | 8,167.3 | 12,974.0 | 3,755.8 | 7,783.9 | 14,122.0 |
| chopper_command | 9,882.0 | 6,126.0 | 16,654.0 | 721,851.0 | 7,021.0 | 3,710.0 | 3,500.0 |
| crazy_climber | 35,411.0 | 110,763.0 | 168,788.5 | 320,426.0 | 112,646.0 | 26,430.0 | 38,000.0 |
| demon_attack | 3,401.0 | 12,149.4 | 111,185.2 | 133,086.4 | 113,308.4 | 1,166.5 | 970.0 |
| double_dunk | -15.5 | -6.6 | -0.3 | 23.5 | -0.1 | 0.2 | 0.0 |
| enduro | 309.6 | 729.0 | 2,125.9 | 2,177.4 | -82.5 | 95.0 | 51.0 |
| fishing_derby | 5.5 | -4.9 | 31.3 | 44.4 | 18.8 | 49.0 | -33.0 |
| freeway | 29.6 | 30.8 | 34.0 | 33.7 | 0.1 | 31.0 | 26.0 |
| frostbite | 4,335.0 | 797.4 | 9,590.5 | 9,328.6 | 190.5 | 370.0 | 4,460.0 |
| gopher | 2,321.0 | 8,777.4 | 70,354.6 | 120,500.9 | 10,022.8 | 582.0 | 1,200.0 |
| gravitar | 2,672.0 | 473.0 | 1,419.3 | 1,598.5 | 303.5 | 805.0 | 700.0 |
| hero | 25,763.0 | 20,437.8 | 55,887.4 | 31,655.9 | 32,464.1 | | 18,220.0 |
| ice_hockey | 0.9 | -1.9 | 1.1 | 33.0 | -2.8 | 4.1 | 2.0 |
| jamesbond | 406.7 | | | 21,322.5 | 541.0 | | 650.0 |
| kangaroo | 3,035.0 | 7,259.0 | 14,637.5 | 1,416.0 | 94.0 | 11,200.0 | 11,200.0 |
| krull | 2,395.0 | 8,422.3 | 8,741.5 | 11,741.4 | 5,560.0 | 8,647.2 | 10,889.0 |
| kung_fu_master | 22,736.0 | 26,059.0 | 52,181.0 | 97,829.5 | 28,819.0 | | 62,000.0 |
| montezuma_revenge | 4,367.0 | 0.0 | 384.0 | 2,500.0 | 67.0 | 0.0 | 0.0 |
| ms-pacman | 15,693.0 | 3,085.6 | 5,380.4 | 11,255.2 | 653.7 | | 3,410.0 |
| name_this_game | 4,076.0 | 8,207.8 | 13,136.0 | 25,783.3 | 10,476.1 | 4,503.0 | 7,210.0 |
| phoenix | | 8,485.2 | 108,528.6 | 224,491.1 | 52,894.1 | 4,041.0 | 3,810.0 |
| pitfall | | -286.1 | 0.0 | -0.6 | -78.5 | 0.0 | 0.0 |
| pong | 9.3 | 19.5 | 20.3 | 20.9 | 5.6 | 21.0 | -20.0 |
| private_eye | 69,571.0 | 146.7 | 4,234.0 | 49.8 | 206.9 | 100.0 | 15,200.0 |
| qbert | 13,455.0 | 13,117.3 | 33,817.5 | 302,391.3 | 15,148.8 | 147.5 | 5,125.0 |
| riverraid | 13,513.0 | | | 63,864.4 | 12,201.8 | 5,009.0 | 3,410.0 |
| road_runner | 7,845.0 | 39,544.0 | 62,041.0 | 222,234.5 | 34,216.0 | 16,590.0 | 15,900.0 |
| robotank | 11.9 | 63.9 | 61.4 | 73.8 | 32.8 | 11.9 | 16.0 |
| seaquest | 20,182.0 | 5,860.6 | 15,898.9 | 392,952.3 | 2,355.4 | 1,390.0 | 1,020.0 |
| skiing | | -13,062.3 | -12,957.8 | -10,789.9 | -10,911.1 | -15,442.5 | -5,564.0 |
| solaris | | 3,482.8 | 3,560.3 | 2,892.9 | 1,956.0 | 2,090.0 | 7,200.0 |
| space_invaders | 1,652.0 | 1,692.3 | 18,789.0 | 54,681.0 | 15,730.5 | 678.5 | 840.0 |
| star_gunner | 10,250.0 | 54,282.0 | 127,029.0 | 434,342.5 | 138,218.0 | 1,470.0 | 800.0 |
| tennis | -8.9 | 12.2 | 0.0 | 23.9 | -6.3 | 4.5 | 0.0 |
| time_pilot | 5,925.0 | 4,870.0 | 12,926.0 | 87,085.0 | 12,679.0 | 4,970.0 | 16,800.0 174.0 |
| tutankham up_n_down | 167.6 | 68.1 | 241.0 | 272.6 | 156.3 | 130.3 |
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| Frames Time | 200M ~7-10d | 1B ~1h | 1B ~4d | ~ 1h or 4h | ~ 1h or 4h | ~ 6h or 24h |
| Forward Passes | 450M | 250M | 250M | 250M | 250M | 1.5B |
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| L | 1 | 2 | 4 | 8 | 16 | 32 | 84.6 | 82.1 | 76.2 | 66.9 | 40.1 | 12.9 |
| L2 | 150 | 300 | 600 | 1200 | 2400 | 4800 | 85.0 | 83.5 | 79.6 | 72.6 | 59.1 | 19.9 |
| L1 | 9562.5 | 19125 | 76500 1530001 | | 306000 612000 | | 84.4 | 82.7 | 76.3 | 68.9 | 56.4 | 36.1 |
| Elastic | 0.250 | 0.500 | 2 | 4 | 8 | 16 | 85.9 | 83.2 | 78.1 | 75.6 | 57.0 | 22.5 |
| JPEG | 0.062 | 0.125 | 0.250 | 0.500 | 1 | 2 | 85.0 | 83.2 | 79.3 | 72.8 | 34.8 | 1.1 |
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| Snow | 0.062 | 0.125 | 0.250 | 2 | 4 | 8 | 84.0 | 81.1 | 77.7 | 65.6 | 59.5 | 41.2 |
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| L | 1 | 2 | 4 | 8 | 16 | 32 | 84.6 | 82.1 | 76.2 | 66.9 | 40.1 | 12.9 |
| L2 | 150 | 300 | 600 | 1200 | 2400 | 4800 | 85.0 | 83.5 | 79.6 | 72.6 | 59.1 | 19.9 |
| L1 | 9562.5 | 19125 | 76500 1530001 | | 306000 612000 | | 84.4 | 82.7 | 76.3 | 68.9 | 56.4 | 36.1 |
| Elastic | 0.250 | 0.500 | 2 | 4 | 8 | 16 | 85.9 | 83.2 | 78.1 | 75.6 | 57.0 | 22.5 |
| JPEG | 0.062 | 0.125 | 0.250 | 0.500 | 1 | 2 | 85.0 | 83.2 | 79.3 | 72.8 | 34.8 | 1.1 |
| Fog | 128 | 256 | 512 | 2048 | 4096 | 8192 | 85.8 | 83.8 | 79.0 | 68.4 | 67.9 | 64.7 |
| Snow | 0.062 | 0.125 | 0.250 | 2 | 4 | 8 | 84.0 | 81.1 | 77.7 | 65.6 | 59.5 | 41.2 |
| Gabor | 6.250 | 12.500 25 | | 400 | 800 | 1600 | 84.0 | 79.8 | 79.8 | 66.2 | 44.7 | 14.6 |
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+# Discriminative Recurrent Sparse Auto-Encoders
+
+Jason Tyler Rolfe & Yann LeCun Courant Institute of Mathematical Sciences, New York University 719 Broadway, 12th Floor New York, NY 10003 {rolfe, yann}@cs.nyu.edu
+
+# Abstract
+
+We present the discriminative recurrent sparse auto-encoder model, comprising a recurrent encoder of rectified linear units, unrolled for a fixed number of iterations, and connected to two linear decoders that reconstruct the input and predict its supervised classification. Training via backpropagation-through-time initially minimizes an unsupervised sparse reconstruction error; the loss function is then augmented with a discriminative term on the supervised classification. The depth implicit in the temporally-unrolled form allows the system to exhibit far more representational power, while keeping the number of trainable parameters fixed.
+
+From an initially unstructured network the hidden units differentiate into categorical-units, each of which represents an input prototype with a well-defined class; and part-units representing deformations of these prototypes. The learned organization of the recurrent encoder is hierarchical: part-units are driven directly by the input, whereas the activity of categorical-units builds up over time through interactions with the part-units. Even using a small number of hidden units per layer, discriminative recurrent sparse auto-encoders achieve excellent performance on MNIST.
+
+# 1 Introduction
+
+Deep networks complement the hierarchical structure in natural data (Bengio, 2009). By breaking complex calculations into many steps, deep networks can gradually build up complicated decision boundaries or input transformations, facilitate the reuse of common substructure, and explicitly compare alternative interpretations of ambiguous input (Lee, Ekanadham, & $\mathrm { N g }$ , 2008; Zeiler, Taylor, & Fergus, 2011). Leveraging these strengths, deep networks have facilitated significant advances in solving sensory problems like visual classification and speech recognition (Dahl, et al., 2012; Hinton, Osindero, & Teh, 2006; Hinton, et al., 2012).
+
+Although deep networks have traditionally used independent parameters for each layer, they are equivalent to recurrent networks in which a disjoint set of units is active on each time step. The corresponding representations are sparse, and thus invite the incorporation of powerful techniques from sparse coding (Glorot, Bordes, & Bengio, 2011; Lee, Ekanadham, & Ng, 2008; Olshausen & Field, 1996, 1997; Ranzato, et al., 2006). Recurrence opens the possibility of sharing parameters between successive layers of a deep network.
+
+This paper introduces the Discriminative Recurrent Sparse Auto-Encoder model (DrSAE), comprising a recurrent encoder of rectified linear units (ReLU; Coates & Ng, 2011; Glorot, Bordes, & Bengio, 2011; Jarrett, et al., 2009; Nair & Hinton, 2010; Salinas & Abbott, 1996), connected to two linear decoders that reconstruct the input and predict its supervised classification. The recurrent encoder is unrolled in time for a fixed number of iterations, with the input projecting to each resulting layer, and trained using backpropagation-through-time (Rumelhart, et al., 1986). Training initially minimizes an unsupervised sparse reconstruction error; the loss function is then augmented with a discriminative term on the supervised classification. In its temporally-unrolled form, the network can be seen as a deep network, with parameters shared between the hidden layers. The temporal depth allows the system to exhibit far more representational power, while keeping the number of trainable parameters fixed.
+
+Interestingly, experiments show that DrSAE does not just discover more discriminative “parts” of the form conventionally produced by sparse coding. Rather, the hidden units spontaneously differentiate into two types: a small number of categorical-units and a larger number of part-units. The categorical-units have decoder bases that look like prototypes of the input classes. They are weakly influenced by the input and activate late in the dynamics as the result of interaction with the part-units. In contrast, the part-units are strongly influenced by the input, and encode small transformations through which the prototypes of categorical-units can be reshaped into the current input. Categorical-units compete with each other through mutual inhibition and cooperate with relevant part-units. This can be interpreted as a representation of the data manifold in which the categoricalunits are points on the manifold, and the part-units are akin to tangent vectors along the manifold.
+
+# 1.1 Prior work
+
+The encoder architecture of DrSAE is modeled after the Iterative Shrinkage and Threshold Algorithm (ISTA), a proximal method for sparse coding (Chambolle, et al., 1998; Daubechies, Defrise, & De Mol, 2004). Gregor & LeCun (2010) showed that the sparse representations computed by ISTA can be efficiently approximated by a structurally similar encoder with a less restrictive, learned parameterization. Rather than learn to approximate a precomputed optimal sparse code, the LISTA autoencoders of Sprechmann, Bronstein, & Sapiro (2012a,b) are trained to directly minimize the sparse reconstruction loss function. DrSAE extends LISTA autoencoders with a non-negativity constraint, which converts the shrink nonlinearity of LISTA into a rectified linear operator; and introduces a unified classification loss, as previously used in conjunction with traditional sparse coders (Bradley & Bagnell, 2008; Mairal, et al., 2009; Mairal, Bach, & Ponce, 2012) and other autoencoders (Boureau, et al., 2010; Ranzato & Szummer, 2008).
+
+DrSAEs resemble the structure of deep sparse rectifier neural networks (Glorot, Bordes, & Bengio, 2011), but differ in that the parameter matrices at each layer are tied (Bengio, BoulangerLewandowski, & Pascanu, 2012), the input projects to all layers, and the outputs are normalized. DrSAEs are also reminiscent of the recurrent neural networks investigated by Bengio & Gingras (1996), but use a different nonlinearity and a heavily regularized loss function. Finally, they are similar to the recurrent networks described by Seung (1998), but have recurrent connections amongst the hidden units, rather than between the hidden units and the input units, and introduce classification and sparsification losses.
+
+# 2 Network architecture
+
+In the following, we use lower-case bold letters to denote vectors, upper-case bold letters to denote matrices, superscripts to indicate iterative copies of a vector, and subscripts to index the columns (or rows, if explicitly specified by the context) of a matrix or (without boldface) the elements of a vector. We consider discriminative recurrent sparse auto-encoders (DrSAEs) of rectified linear units with the architecture shown in figure 1:
+
+$$
+\mathbf { z } ^ { t + 1 } = \operatorname* { m a x } \left( 0 , \mathbf { E } \cdot \mathbf { x } + \mathbf { S } \cdot \mathbf { z } ^ { t } - \mathbf { b } \right)
+$$
+
+for $t = 1 , \dots , T$ , where $n$ -dimensional vector $\mathbf { z } ^ { t }$ is the activity of the hidden units at iteration $t$ , $m$ - dimensional vector $\mathbf { x }$ is the input, and $\mathbf { z } ^ { t = 0 } = 0$ . Unlike traditional recurrent autoencoders (Bengio, Boulanger-Lewandowski, & Pascanu, 2012), the input projects to every iteration. We call the $n \times m$ parameter matrix $\mathbf { E }$ the encoding matrix, and the $n \times n$ parameter matrix $\mathbf { S }$ the explaining-away matrix. The $n$ -element parameter vector $\mathbf { b }$ contains a bias term. The parameters also include the $m \times n$ decoding matrix $\mathbf { D }$ and the $l \times n$ classification matrix $\mathbf { C }$ .
+
+We pretrain DrSAEs using stochastic gradient descent on the unsupervised loss function
+
+$$
+L ^ { U } = \frac { 1 } { 2 } \cdot \left| \left| \mathbf { x } - \mathbf { D } \cdot \mathbf { z } ^ { T } \right| \right| _ { 2 } ^ { 2 } + \lambda \cdot \left| \left| \mathbf { z } ^ { T } \right| \right| _ { 1 } ,
+$$
+
+
+Figure 1: The discriminative recurrent sparse auto-encoder (DrSAE) architecture. $\mathbf { z } ^ { t }$ is the hidden representation after iteration $t$ of $T$ , and is initialized to $\mathbf { z } ^ { 0 } = 0$ ; $\mathbf { x }$ is the input; and $\mathbf { y }$ is the supervised classification. Overbars denote approximations produced by the network, rather than the true input. E, S, D, and $\mathbf { b }$ are learned parameters.
+
+with the magnitude of the columns of $\mathbf { D }$ bounded by 1,1 and the magnitude of the rows of $\mathbf { E }$ bounded by $\textstyle { \frac { 1 . 2 5 } { T } }$ .2 We then add in the supervised classification loss function
+
+$$
+L ^ { S } = \mathrm { l o g i s t i c } _ { y } \left( \mathbf { C } \cdot \frac { \mathbf { z } ^ { T } } { | | \mathbf { z } ^ { T } | | } \right) ,
+$$
+
+where the multinomial logistic loss function is defined by
+
+$$
+\mathrm { l o g i s t i c } _ { y } ( { \bf z } ) = z _ { y } - \log \left( \sum _ { i } e ^ { z _ { i } } \right) ,
+$$
+
+and $y$ is the index of the desired class.3 Starting with the parameters learned by the unsupervised pretraining, we perform discriminative fine-tune by stochastic gradient descent on $L ^ { U } + \dot { L } ^ { S }$ , with the magnitude of the rows of $\mathbf { C }$ bounded by 5.4 The learning rate of each matrix is scaled down by the number of times it is repeated in the network, and the learning rate of the classification matrix is scaled down by a factor of 5, to keep the effective learning rate consistent amongst the parameter matrices.
+
+We train DrSAEs with $T = 1 1$ recurrent iterations (ten nontrivial passes through the explainingaway matrix S)5 and 400 hidden units on the MNIST dataset of $2 8 \times 2 8$ grayscale handwritten digits (LeCun, et al., 1998), with each input normalized to have $\ell _ { 2 }$ magnitude equal to 1. We use a training set of 50,000 elements, and a validation set of 10,000 elements to perform early-stopping. Encoding, decoding, and classification matrices learned via this procedure are depicted in figure 2.
+
+The dynamics of equation 1 are inspired by the Learned Iterative Shrinkage and Thresholding Algorithm (LISTA) (Gregor & LeCun, 2010), an efficient approximation to the sparse coding Iterative Shrinkage and Threshold Algorithm (ISTA) (Chambolle, et al., 1998; Daubechies, Defrise, & De
+
+
+Figure 2: The hidden units differentiate into spatially localized part-units, which have well-aligned encoders and decoders; and global prototype categorical-units, which have poorly aligned encoders and decoders. A subset of the rows of encoding matrix $\mathbf { E }$ (a) and the columns of decoding matrix D (b), and all rows of the classification matrix $\mathbf { C }$ (c) after training. The first row of (a,b) shows the most categorical units; the last row contains the least categorical units; and the middle row evenly steps through the remaining units in order of categoricalness. Gray pixels denote connections with weight 0; darker pixels indicate more positive connections.
+
+Mol, 2004). ISTA is an algorithm for minimizing the $\ell _ { 1 }$ -regularized reconstruction loss function $L ^ { U }$ of equation 2 with respect to ${ \mathbf z } ^ { T }$ . It is defined by the iterative step
+
+$$
+{ \bf z } ^ { t + 1 } = h _ { \alpha \cdot \lambda } \left( \alpha \cdot { \bf D } ^ { \top } \cdot { \bf x } + \left( { \bf I } - \alpha \cdot { \bf D } ^ { \top } \cdot { \bf D } \right) \cdot { \bf z } ^ { t } \right) ,
+$$
+
+where $\left[ h _ { \theta } ( \mathbf { x } ) \right] _ { i } = { \mathrm { s i g n } } \left( x _ { i } \right) \cdot { \mathrm { m a x } } \left( 0 , | x _ { i } | - \theta \right)$ and $\alpha$ is a small step-size parameter. With nonnegative units, ISTA is equivalent to projected gradient descent of $L ^ { U }$ of equation 2. As the number of iterations $T \to \infty$ , a DrSAE defined by equation 1 becomes a non-negative version of ISTA if it satisfies the restrictions:
+
+$$
+{ \bf E } = \alpha \cdot { \bf D } ^ { \top } , \qquad { \bf S } = { \bf I } - \alpha \cdot { \bf D } ^ { \top } \cdot { \bf D } , \qquad b _ { i } = \alpha \cdot \lambda , \quad \mathrm { ~ a n d ~ } \quad z _ { i } ^ { t } \geq 0 ,
+$$
+
+where the positive scale factor $\alpha$ is less than the maximal eigenvalue of $\mathbf { D } ^ { \top } \cdot \mathbf { D }$ , and $\mathbf { I }$ is the $n \times n$ identity matrix.
+
+As in LISTA, but unlike ISTA, the encoding matrix $\mathbf { E }$ and explaining-away matrix S in a DrSAE are independent of the decoding matrix $\mathbf { D }$ . Connections from the input to the hidden units, and recurrent connections between the hidden units, are all-to-all, so the network structure is agnostic to permutations of the input. DrSAEs can also be understood as deep, feedforward networks with the parameter matrices tied between the layers.
+
+# 3 Analysis of the hidden unit representation
+
+Discriminative fine-tuning naturally induces the hidden units of a DrSAE to differentiate into a hierarchy-like continuum. On one extreme are part-units, which perform an ISTA-like sparse coding computation; on the other are categorical-units, which use a sophisticated form of pooling to integrate over matching part-units, and implement winner-take-all dynamics amongst themselves. Converging lines of evidence indicate that these two groups use distinct computational mechanisms and serve different representational roles.
+
+In the ISTA algorithm, each row of the encoding matrix $\mathbf { E } _ { i }$ (which we sometimes call the encoder of unit $i$ ) is proportional to the corresponding column of the decoding matrix $\mathbf { D } _ { i }$ (which we call the decoder of unit $i$ ), and each row $( \mathbf { S } - \mathbf { I } ) _ { i }$ is proportional to $\left( \mathbf { D } _ { i } \right) ^ { \top } \cdot \bar { \mathbf { D } }$ , as in equation 4. As a result, the angle between $\mathbf { E } _ { i }$ and $\mathbf { D } _ { i }$ , and the angle between the rows of $\mathbf { S } - \mathbf { I }$ and $\mathbf { D } ^ { \top } \cdot \mathbf { D }$ , are both simple measures of the degree to which a unit’s dynamics follow the ISTA algorithm, and thus perform sparse coding.6 These quantities are equal to 0 in the case of perfect ISTA, and grow larger as the network diverges from ISTA. Of these two angles, the explaining-away matrix comparison is more difficult to interpret, since a distortion of any one unit’s decoding column $\mathbf { D } _ { i }$ will affect all rows of $\mathbf { D } ^ { \top } \cdot \mathbf { D }$ , whereas the angle between the encoder row $\mathbf { E } _ { i }$ and decoder column $\mathbf { D } _ { i }$ only depends upon a single unit. For this reason, we use the angle between the encoder row and decoder column as a measure of the position of each unit on the part/categorical continuum.
+
+
+Figure 3: The hidden units differentiate into two populations after discriminative fine-tuning. The magnitude of row $( \mathbf { S } - \mathbf { I } ) _ { i }$ (a,b,e) and $\mathbf { C } _ { i }$ (c,d), versus the angle between encoder row and decoder column, for each unit from networks using 11 (a,c,e) and 2 (b,d,f) iterations. All plots are from discriminatively fine-tuned networks except (a,b), which are only subject to unsupervised pretraining. We call the dense cloud in the bottom-left part-units, and the tail extending to the top-right categorical-units.
+
+Figure 3 plots, for each unit $i$ , the magnitude of row $( \mathbf { S } - \mathbf { I } ) _ { i }$ and column $\mathbf { C } _ { i }$ , versus the angle between row $\mathbf { E } _ { i }$ and column $\mathbf { D } _ { i }$ . Before discriminative fine-tuning, there are no categorical-units; the angle between the encoder row and decoder column is small and the incoming recurrent connections are weak for all units, as in figure 3(a,b). After discriminative fine-tuning, there remains a dense cloud of points for which the angle between the encoder row and decoder column is very small, and the incoming recurrent and outgoing classification connections are weak. Abutting this is an extended tail of points that have a larger angle between the encoder row and decoder column, and stronger incoming recurrent and outgoing classification connections. We call units composing the dense cloud part-units, since they have ISTA-compatible connections, while we refer to those making up the extended tail as categorical-units, since they have strong connections to the classification output.7 When trained on MNIST, part-units have localized, pen stroke-like decoders, as can be seen in the bottom rows of figure 2(a,b). Categorical-units, in contrast, tend to have whole-digit prototype-like decoders, as in the top rows of figure 2(a,b). Discriminative fine-tuning induces the differentiation of categorical-units regardless of the depth of the encoder.
+
+# 3.1 Part-units
+
+Examination of the relationship between the elements of $\mathbf { S } - \mathbf { I }$ and $\mathbf { D } ^ { \top } \cdot \mathbf { D }$ confirms that partunits with an encoder-decoder angle less than 0.5 radians abide by ISTA, and so perform sparse coding on the residual input after the categorical-unit prototypes are subtracted out. The prominent diagonals with matching slopes in figure 4(a,b), which plot the value of $S _ { i , j } - \delta _ { i , j }$ versus $\mathbf { D } _ { i } \cdot \mathbf { D } _ { j }$ for connections between part-units, and from categorical-units to part-units, respectively, demonstrate that part-units receive ISTA-consistent connections from all units. The fidelity of these connections to the ISTA ideal is not strongly dependent upon whether the afferent units are ISTA-compliant partunits, or ISTA-ignoring categorical-units. As a result, the part-units treat the categorical-units as if they were also participating in the reconstruction of the input, and only attempt to reconstruct the residual input not explained by the categorical-unit prototypes.
+
+As can be seen in figure 4(c), the degree to which the encoder conforms to the ISTA algorithm is strongly correlated with the degree to which the explaining-away matrix matches the ISTA algorithm. Figure 5 shows the decoders associated with the strongest recurrent connections to three representative part-units. As expected, the decoders of these afferent units tend to be strongly aligned or anti-aligned with their target’s decoder, and include both part-units and categorical-units.
+
+# 3.2 Categorical-units
+
+In contrast, the recurrent connections to categorical-units with an encoder-decoder angle greater than 0.7 radians are not strongly correlated with the values predicted by ISTA. Rather than analyzing connections to the categorical-units only based upon their destination, it is more informative to consider them organized by their source. Part-units are compatible with categorical-units of certain classes,8 and not with others, as shown by figure 6(a). Part-units generally have positive connections to categorical-units with parallel prototypes, independent of offset, and negative connections to categorical-units with orthogonal prototypes, as shown in figure 7(a). This corresponds to a sophisticated form of pooling (Jarrett, et al., 2009), with a single categorical-unit drawing excitation from a large collection of parallel but not necessarily perfectly aligned part-units, as in figure 6(c). It is also suggestive of the standard Hubel and Wiesel model of complex cells in primary visual cortex (Hubel & Wiesel, 1962). ISTA would instead predict a connection proportional to the inner product, which is zero for orthogonal prototypes and negative for anti-aligned prototypes.
+
+Part-units use sparse coding dynamics, and so are not disproportionately suppressed by categoricalunits that represent any particular class. However, each part-unit is itself compatible with (i.e., has positive connections to) categorical-units of only a subset of the classes. As a result, the categorical
+
+
+Figure 4: Part-units have connections consistent with ISTA. The actual connection weights $\mathbf { S } - \mathbf { I }$ versus the ISTA-predicted weights $\mathbf { D } ^ { \top } \cdot \mathbf { D }$ , for connections from part-units to part-units (a) and categorical-units to part-units (b); and the angle between the rows of $\mathbf { S } - \mathbf { I }$ and the ISTA-ideal $\mathbf { D } ^ { \top } \cdot \mathbf { D }$ versus the angle between the encoder rows and decoder columns (c). Units are considered part-units if the angle between their encoder and decoder is less than 0.5 radians, and categoricalunits if the angle between their encoder and decoder is greater than 0.7 radians.
+
+# Dest Source units
+
+
+Figure 5: Part-units receive ISTA-compatible connections and thus perform sparse coding on the residual input after the contribution of the categorical-units is subtracted out. The decoders of the twenty units with the strongest explaining-away connections $\lvert S _ { i , j } - \delta _ { i , j } \rvert$ to three typical part-units, sorted by connection magnitude. The left-most column depicts the decoder of the recipient partunit. The bars above the decoders in the remaining columns indicate the strength of the connections. Black bars are used for positive connections, and white bars for negative connections.
+
+units and thus the class chosen are determined by the part-unit activations. In particular, only a subset of the possible deformations implemented by part-unit decoders are freely available for each prototype, since part-units with a strong negative connection to a categorical-unit will tend to silence it, and so cannot be used to transform the prototype of that categorical-unit.
+
+Categorical-units implement winner-take-all-like dynamics amongst themselves, as shown in figure 6(b), with negative connections to most other categorical-units. Positive total self-connections $S _ { i , i }$ facilitate the integration of inputs over time.
+
+
+
+Dest Source units
+
+
+Figure 6: Categorical-units execute a sophisticated form of pooling over part-units, and have winnertake-all dynamics amongst themselves. The decoders of the categorical-units receiving the twenty strongest connections $| \bar { S } _ { i , j } - \delta _ { i , j } |$ from representative part-units (a) and categorical-units (b), and the decoders of the part-units sending the twenty strongest projections to representative categoricalunits (c). The connections are sorted first by the class of their destination, and then by the magnitude of the connection. The left-most column depicts the decoder of the source (a,b) or destination (c) unit. The bars above the decoders in the remaining columns indicate the strength of the connections. Black bars are used for positive connections, and white bars for negative connections.
+
+When activated, the categorical-units make a much larger contribution to the reconstruction than any single part-unit, as can be seen in figure 7(b). Since, the projections from categorical-units to part-units are consistent with ISTA, the magnitude of the categorical-unit contribution to the reconstruction need not be tightly regulated. The part-units adjust accordingly to accommodate whatever residual is left by the categorical-units.
+
+The units form a rough hierarchy, with part-units on the bottom and categorical-units on the top. Categorical-units receive strong recurrent connections, as shown in figure 3(c,d) implying that their activity is more determined by other hidden units and less by the input (since the magnitude of the input connections is bounded), and thus they are higher in the hierarchy. As shown in figure 7(c), part-units receive most of their input from other part-units; categorical-units receive a larger fraction of their input from other categorical-units. Whereas part-units have well-structured encoders and are generally activated directly by the input on the first iteration, categorical-units are more likely to first achieve a non-zero activation on the second iteration, as shown in figure 7(d), suggesting that they require stimulation from part-units. The immediate response of part-units in contrast to the gradual refinement of categorical-units is apparent in figure 8, which shows the optimal decoding matrix for selected units, inferred from their observed activity at each iteration.
+
+# 4 Performance
+
+The comparison of MNIST classification performance in table 1 demonstrates the power of the hierarchical representation learned by DrSAEs. Rather than learn to minimize the sum of equations 2 and 3, Gregor & LeCun (2010) train the LISTA encoder to approximate the code generated by a traditional sparse coder. While they do not report classification performance using LISTA, Gregor and LeCun do evaluate MNIST classification error using the related learned coordinate descent algorithm. Sprechmann, Bronstein, & Sapiro (2012a,b) extend this approach by training a LISTA auto-encoder to reconstruct the input directly, using loss functions similar to equation 2. Although they identify the possibility of using regularization dependent upon supervised information, Sprechmann and colleagues do not consider a parameterized classifier operating on a common hidden representation. Instead, they train a separate encoder for each class, and classify each input based upon the encoder with the lowest sparse coding error. DrSAEs significantly outperform these other techniques based upon a LISTA encoder.
+
+
+Figure 7: Statistics of connections indicate the presence of a rough hierarchy, with categorical-units on the top integrating over part-units on the bottom. Average explaining-away connection weight $S _ { i j }$ , binned by alignment between decoders, for connections from part-units to categorical-units (a). If no units fall in a given bin, the average is set to zero. Average final value of a unit $z _ { i } ^ { t = T }$ , given that $z _ { i } ^ { t = T } > 0$ , versus the angle between the encoder row $E _ { i }$ and decoder column $D _ { i }$ (b). Average angle between encoder row $E _ { j }$ and decoder column $D _ { j }$ of afferents to unit $i$ , weighted by the strength of the connection to unit $i$ , versus the angle between encoder row $E _ { i }$ and decoder column $D _ { i }$ (c). Probability that $z _ { i } ^ { 1 } = 0$ and $z _ { i } ^ { 2 } > 0$ , versus the angle between the encoder row $E _ { i }$ and decoder column $D _ { i }$ (d). Average value of the decoder column $\overline { { D _ { i } } }$ versus the angle between the encoder row $E _ { i }$ and the decoder column $D _ { i }$ (e).
+
+DrSAEs also perform well compared to other techniques using encoders related to LISTA. Deep sparse rectifier neural networks (Glorot, Bordes, & Bengio, 2011) combine discriminative training with an encoder similar to LISTA, but do not tie the parameters between the layers and only allow the input to project to the first layer. Differentiable sparse coding (Bradley & Bagnell, 2008) and supervised dictionary learning (Mairal, et al., 2009) also train discriminatively, but effectively use an infinite-depth ISTA-like encoder, and are thus much less computationally efficient than DrSAEs. Supervised dictionary learning achieves performance statistically indistinguishable from DrSAEs using a contrastive loss function. A similar technique achieves MNIST classification error as low as $0 . 5 4 \%$ when the dataset is augmented with shifted copies of the inputs (Mairal, Bach, & Ponce, 2012).
+
+
+Figure 8: Part-units (a) respond to the input quickly, while the activity of categorical-units (b) refines slowly. Columns of the optimal decoding matrices $\mathbf { D } ^ { t }$ minimizing the input reconstruction error $| | \mathbf { x } - \mathbf { D } ^ { t } \cdot \mathbf { z } ^ { t } | | _ { 2 } ^ { 2 }$ from the hidden representation $\mathbf { z } ^ { t }$ for $t = 1 , \dots , T$ . The first and last columns show the corresponding encoder and decoder for the chosen representative units. Intermediate columns represent successive iterations $t$ .
+
+Table 1: MNIST classification error rate $( \% )$ for pixel-permutation-agnostic encoders without boosting-like augmentations. The first column indicates the size of each layer in the specified encoder, separated by hyphens. Exponents specify the number of recurrent iterations; asterisks denote repetition to convergence. $1 0 \times ( \cdots )$ indicates that a separate encoder is trained for each input class; $4 5 \times ( \cdots )$ indicates that a separate encoder is trained for each pairwise binary classification problem. Further performance improvements have been reported with regularization techniques such as dropout, architectures that enforce translation-invariance, and datasets augmented by deformations, as discussed in the main text.
+
+| LISTA auto-encoder,10 × (289-1005) (Sprechmann,Bronstein,& Sapiro,2012a) | | 3.76(5.98 with 289 hidden units) |
| Learned coordinate descent, 784-78450-10 (Gregor & LeCun, 2010) | 2.29 | |
| Differentiable sparse coding,180-256*-10 (Bradley & Bagnell, 2008) | 1.30 | 1.20(1.16 with tanh nonlinearity) |
| Deep sparse rectifier neural network 784-1000-1000-1000-10 (Glorot, Bordes,& Bengio,2011) | | |
| Deep belief network, 784-500-500-2000-10 (Hinton, et al.,2012) | | 1.18(0.92 with dropout) |
| Discriminative recurrent sparse auto-encoder1.08(1.21 with 2OO hidden units) 784-40011-10 | | |
| Supervised dictionary learning, 45 × (784-24*) to 45 × (784-96*) (Mairal, et al., 2009) | | 1.05(3.56 without contrastive loss) |
+
+Additional regularizations and boosting-like techniques can further improve performance of networks with LISTA-like encoders. Recent examples include dropout, which trains and then averages over a large set of random subnetworks formed by removing a constant fraction of the hidden units from the original network (Goodfellow, et al., 2013; Hinton, et al., 2012). Deep belief networks and deep Boltzmann machines fine-tuned with dropout are the current state-of-the-art for pixelpermutation-agnostic handwritten digit recognition (Hinton, et al., 2012), and can achieve MNIST classification error as low as $0 . 7 9 \%$ with a carefully tuned network structure and multi-step training procedure. Deep convex networks, which iteratively refine the classification by successively training a stack of classifiers, with the output of the $i - 1 \mathrm { s t }$ classifier provided as input to the ith classifier, can achieve an MNIST error of $0 . 8 3 \%$ (Deng & Yu, 2011). Regularizing by explicit modeling of the data manifold, and then minimizing the square of the Jacobian of the output along the tangent bundle around the training datapoints, can reduce MNIST error to $0 . 8 1 \%$ (Rifai, et al., 2011). Further performance improvements are possible if translation invariance is built directly into the network via a convolutional architecture, and deformations of the inputs are included in the training set (LeCun, et al., 1998), yielding error as low as $0 . 2 3 \%$ (Ciresan, Meier, & Schmidhuber, 2012). These regularizations and augmentations are potentially compatible with DrSAE, but we defer their exploration to future work.
+
+Recurrence is essential to the performance of DrSAEs. If the number of recurrent iterations is decreased from eleven to two, MNIST classification error in a network with 400 hidden units increases from $1 . 0 8 \%$ to $1 . 3 2 \%$ . With only 200 hidden units, MNIST classification error increases from $1 . 2 1 \%$ to $1 . 4 9 \%$ , although the hidden units still differentiate into part-units and categorical-units, as shown in figure 3(d,f).
+
+# 5 Discussion
+
+It is widely believed that natural stimuli, such as images and sounds, fall near a low-dimensional manifold within a higher-dimensional space (the manifold hypothesis) (Bengio, Courville, & Vincent, 2012; Lee, Pedersen, & Mumford, 2003; Olshausen & Field, 2004). The low-dimensional data manifold provides an intuitively compelling and empirically effective basis for classification (Rifai, et al., 2011; Simard, LeCun, & Denker, 1993; Simard, et al., 1998). The continuous deformations that define the data manifold usually preserve identity, whereas even relatively small invalid transformations may change the class of a stimulus. For instance, the various handwritten renditions of the digit 3 in in the last column of figure 9(c) barely overlap, and so the Euclidean distance between them in pixel space is greater than that to the nearest 8 formed by closing both loops. Nevertheless, smooth deformations of one 3 into another correspond to relatively short trajectories along the data manifold,9 whereas the transformation of a 3 into an 8 requires a much longer path within the data manifold. A prohibitive amount of data is required to fully characterize the data manifold (Narayanan & Mitter, 2010), so it is often approximated by the set of linear submanifolds tangent to the data manifold at the observed datapoints, known as the tangent spaces (Ekanadham, Tranchina, & Simoncelli, 2011; Rifai, et al., 2011; Simard, et al., 1998). DrSAEs naturally and efficiently form a tangent space-like representation, consisting of a point on the data manifold indicated by the categorical-units, and a shift within the tangent space specified by the part-units.
+
+Before discriminative fine-tuning, DrSAEs perform a traditional part-based decomposition, familiar from sparse coding, as shown in figure 9(a). The decoding matrix columns are class-independent, local pen strokes, and many units make a comparable, small contribution to the reconstruction. After discriminative fine-tuning, the hidden units differentiate into sparse coding local part-units, and global prototype categorical-units that integrate over them. As shown in figure 9(b,c), the input is decomposed into a prototype, corresponding to a point on the data manifold; and a set of deformations from this prototype along the data manifold, corresponding to shifts within the tangent space. The same prototype can be used for very different inputs, as demonstrated in figure 9(c), since the space of deformations is rich enough to encompass diverse transformations without moving off the data manifold. Even when the prototype is very different from the input, all steps along the reconstruction trajectories in figure 9(b,c) are recognizable as members of the same class.
+
+
+Figure 9: Discriminative recurrent sparse auto-encoders decompose the input into a prototype and deformations along the data manifold. The progressive reconstruction of selected inputs by the hidden representation before (a) or after (b,c) discriminative fine-tuning. The columns from left to right depict either the components of the reconstruction (top row of each pair), or the partial reconstruction induced by the first $n$ parts (bottom row of each pair). Parts are added to the reconstruction in order of decreasing contribution magnitude; smoother transformations are possible with an optimized sequence. The last two columns show the final reconstruction with all parts (Fin), and the original input (Inp). Bars above the decoding matrix columns indicate the scale factor/hidden unit activity associated with the column.
+
+The prototypes learned by the categorical-units for each class are not simply the average over the elements of the class, as depicted in figure 10. Each class includes many possible input variations, so its average is blurry. The prototypes, in contrast, are sharp, and look like representative elements of the appropriate class. Many categorical-units are available for each class, as shown in figure 6. Not all categorical-units correspond to full prototypes; some capture global transformations of a prototype, such as rotations (Simard, et al., 1998).
+
+Consistent with prototypes for the non-negative MNIST inputs, the decoding matrix columns of the categorical-units are generally positive, as shown in figure 7(e). In contrast, the decoders of the part-units are approximately mean-zero and so cannot serve as prototypes themselves. Rather, they shift and transform prototypes, moving activation from one region in the image to another, as demonstrated in figure 9(b,c).
+
+
+Figure 10: The prototypes learned by categorical-units resemble representative instances of the appropriate class, and are sharper than the average over all members of the class in the dataset. The left-most column in each group depicts the average over all elements of each of the ten MNIST digit classes. The other columns show the decoders of the associated units with the largest-magnitude columns in the classification matrix C. Bars above the decoders indicate the angle between the encoder and the decoder for the displayed unit. The most prototypical unit always makes the strongest contribution to the classification, and has a large (but not necessarily the largest) angle between its encoder and decoder. Some units that make large contributions to the classification represent global transformations, such as rotations, of a prototype (Simard, et al., 1998).
+
+Discrepancies between the prototype and the input due to transformations along the data manifold are explained by class-consistent part-units, and only serve to further activate the categorical-units of that class, as in figure 6(a,c). Discrepancies between the prototype and the input due to deformations orthogonal to the data manifold are explained by class-incompatible part-units, and serve to suppress the categorical-units of that class, both directly and via activation of incompatible categorical-units.
+
+If the wrong prototype is turned on, the residual input will generally contain substantial unexplained components. Part-units obey ISTA-like dynamics and thus function as a sparse coder on the residual input, so part-units that match the unexplained components of the input will be activated. These partunits will have positive connections to categorical-units with compatible prototypes, and so will tend to activate categorical-units associated with the true class (so long as the unexplained components of the input are diagnostic). The spuriously activated categorical-unit will not be able to sustain its activity, since few compatible part-units will be required to capture the residual input.
+
+The classification approach used by DrSAEs is different from one based upon a traditional sparse coding decomposition: it projects into the space of deviations from a prototype, which is not the same as the space of prototype-free parts, as is clear from figure 9(a,b). For instance, a 5 can easily be constructed using the parts of a 6, making it difficult to distinguish the two. Indeed, the first seven progressive reconstruction steps of the 6 in figure 9(a) could just as easily be used to produce a 5. However, starting from a 6 prototype, the parts required to break the bottom loop are outside the data manifold of the 6 class, and so will tend to change the active prototype.
+
+DrSAEs naturally learn a hierarchical representation within a recurrent network, thereby implementing a deep network with parameter sharing between the layers.
+
+# References
+
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+LeCun, Y., Bottou, L., Bengio, Y., & Haffner, P. (1998). Gradient-based learning applied to document recognition. Proceedings of the IEEE, 86(11), 2278–2324.
+Lee, A. B., Pedersen, K. S., & Mumford, D. (2003). The nonlinear statistics of high-contrast patches in natural images. International Journal of Computer Vision, 54(1), 83–103.
+Lee, H., Ekanadham, C., & Ng, A. (2008). Sparse deep belief net model for visual area V2. In J. C. Platt, D. Koller, Y. Singer & S. Roweis (Eds.) Advances in Neural Information Processing Systems (NIPS 20), (pp. 873–880).
+Mairal, J., Bach, F., Ponce, J., Sapiro, G., & Zisserman, A. (2009). Supervised dictionary learning. In D. Koller, D. Schuurmans, Y. Bengio, & L. Bottou (Eds.) Advances in Neural Information Processing Systems (NIPS 21) (pp. 1033–1040).
+Mairal, J., Bach, F., & Ponce, J. (2012). Task-driven dictionary learning. IEEE Transactions on Pattern Analysis and Machine Intelligence, 34(4), 791–804.
+Nair, V., & Hinton, G. E. (2010). Rectified linear units improve restricted boltzmann machines. In J. Furnkranz & T. Joachims (Eds.) ¨ Proceedings of the 27th International Conference on Machine Learning (ICML 2010) (pp. 807-814).
+Narayanan, H. & MItter, S. (2010). Sample complexity of testing the manifold hypothesis. In J. Lafferty, C. K. I. Williams, J. Shawe-Taylor, R.S. Zemel, & A. Culotta (Eds.) Advances in Neural Information Processing Systems (NIPS 23) (pp. 1786–1794).
+Olshausen, B. A., & Field, D. J. (1996). Emergence of simple-cell receptive field properties by learning a sparse code for natural images. Nature, 381(6583), 607–609.
+Olshausen, B. A., & Field, D. J. (1997). Sparse coding with an overcomplete basis set: A strategy employed by VI? Vision Research, 37(23), 3311–3326.
+Olshausen, B. A., & Field, D. J. (2004). Sparse coding of sensory inputs. Current opinion in neurobiology, 14(4), 481–487.
+Ranzato M., Poultney, C., Chopra, S., & LeCun, Y. (2006). Efficient learning of sparse representations with an energy-based model. In B. Scholkopf, J. Platt, & T. Hoffman (Eds.) ¨ Advances in Neural Information Processing Systems (NIPS 19), (pp. 1137–1144).
+Ranzato, M., & Szummer, M. (2008). Semi-supervised learning of compact document representations with deep networks In A. McCallum & S. Roweis (Eds.), Proceedings of the 25th Annual International Conference on Machine Learning (ICML 2008) (pp. 792–799).
+Rifai, S., Dauphin, Y., Vincent, P., Bengio, Y., & Muller, X. (2011). The manifold tangent classifier. In J. Shawe-Taylor, R. S. Zemel, P. Bartlett, F. C. N. Pereira, & K. Q. Weinberger (Eds.) Advances in Neural Information Processing Systems (NIPS 24) (pp. 2294–2302).
+Rumelhart, D. E., Hinton, G. E., & Williams, R. J. (1986). Learning internal representations by error propagation. In D. E. Rumelhart, J. L. McClelland, and the PDP Research Group (Eds.), Parallel Distributed Processing: Explorations in the Microstructure of Cognition: Vol. 1. Foundations (pp. 318–362). Cambridge, MA: MIT Press.
+Salinas, E., & Abbott, L. F. (1996). A model of multiplicative neural responses in parietal cortex. Proceedings of the National Academy of Sciences of the United States of America, 93(21), 11956– 11961.
+Seung, H. S. (1998). Learning continuous attractors in recurrent networks. In M. I. Jordan, M. J. Kearns, & S. A. Solla (Eds.) Advances in Neural Information Processing Systems (NIPS 10) (pp. 654–660).
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+Sprechmann, P., Bronstein, A., & Sapiro, G. (2012). Learning efficient structured sparse models. In J. Langford & J. Pineau (Eds.) Proceedings of the 29th International Conference on Machine Learning (ICML 12) (pp. 615–622).
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+Deng, L. & Yu, D. (2011). Deep convex net: A scalable architecture for speech pattern classification. In Proceedings of the 12th Annual Conference of the International Speech Communication Association (INTERSPEECH 2011) (pp. 2285-2288).
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+ {
+ "type": "text",
+ "text": "Discriminative Recurrent Sparse Auto-Encoders ",
+ "text_level": 1,
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+ "type": "text",
+ "text": "Jason Tyler Rolfe & Yann LeCun Courant Institute of Mathematical Sciences, New York University 719 Broadway, 12th Floor New York, NY 10003 {rolfe, yann}@cs.nyu.edu ",
+ "bbox": [
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+ {
+ "type": "text",
+ "text": "Abstract ",
+ "text_level": 1,
+ "bbox": [
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+ {
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+ "text": "We present the discriminative recurrent sparse auto-encoder model, comprising a recurrent encoder of rectified linear units, unrolled for a fixed number of iterations, and connected to two linear decoders that reconstruct the input and predict its supervised classification. Training via backpropagation-through-time initially minimizes an unsupervised sparse reconstruction error; the loss function is then augmented with a discriminative term on the supervised classification. The depth implicit in the temporally-unrolled form allows the system to exhibit far more representational power, while keeping the number of trainable parameters fixed. ",
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+ {
+ "type": "text",
+ "text": "From an initially unstructured network the hidden units differentiate into categorical-units, each of which represents an input prototype with a well-defined class; and part-units representing deformations of these prototypes. The learned organization of the recurrent encoder is hierarchical: part-units are driven directly by the input, whereas the activity of categorical-units builds up over time through interactions with the part-units. Even using a small number of hidden units per layer, discriminative recurrent sparse auto-encoders achieve excellent performance on MNIST. ",
+ "bbox": [
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+ {
+ "type": "text",
+ "text": "1 Introduction ",
+ "text_level": 1,
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+ "type": "text",
+ "text": "Deep networks complement the hierarchical structure in natural data (Bengio, 2009). By breaking complex calculations into many steps, deep networks can gradually build up complicated decision boundaries or input transformations, facilitate the reuse of common substructure, and explicitly compare alternative interpretations of ambiguous input (Lee, Ekanadham, & $\\mathrm { N g }$ , 2008; Zeiler, Taylor, & Fergus, 2011). Leveraging these strengths, deep networks have facilitated significant advances in solving sensory problems like visual classification and speech recognition (Dahl, et al., 2012; Hinton, Osindero, & Teh, 2006; Hinton, et al., 2012). ",
+ "bbox": [
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+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "Although deep networks have traditionally used independent parameters for each layer, they are equivalent to recurrent networks in which a disjoint set of units is active on each time step. The corresponding representations are sparse, and thus invite the incorporation of powerful techniques from sparse coding (Glorot, Bordes, & Bengio, 2011; Lee, Ekanadham, & Ng, 2008; Olshausen & Field, 1996, 1997; Ranzato, et al., 2006). Recurrence opens the possibility of sharing parameters between successive layers of a deep network. ",
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+ "text": "This paper introduces the Discriminative Recurrent Sparse Auto-Encoder model (DrSAE), comprising a recurrent encoder of rectified linear units (ReLU; Coates & Ng, 2011; Glorot, Bordes, & Bengio, 2011; Jarrett, et al., 2009; Nair & Hinton, 2010; Salinas & Abbott, 1996), connected to two linear decoders that reconstruct the input and predict its supervised classification. The recurrent encoder is unrolled in time for a fixed number of iterations, with the input projecting to each resulting layer, and trained using backpropagation-through-time (Rumelhart, et al., 1986). Training initially minimizes an unsupervised sparse reconstruction error; the loss function is then augmented with a discriminative term on the supervised classification. In its temporally-unrolled form, the network can be seen as a deep network, with parameters shared between the hidden layers. The temporal depth allows the system to exhibit far more representational power, while keeping the number of trainable parameters fixed. ",
+ "bbox": [
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+ {
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+ "text": "Interestingly, experiments show that DrSAE does not just discover more discriminative “parts” of the form conventionally produced by sparse coding. Rather, the hidden units spontaneously differentiate into two types: a small number of categorical-units and a larger number of part-units. The categorical-units have decoder bases that look like prototypes of the input classes. They are weakly influenced by the input and activate late in the dynamics as the result of interaction with the part-units. In contrast, the part-units are strongly influenced by the input, and encode small transformations through which the prototypes of categorical-units can be reshaped into the current input. Categorical-units compete with each other through mutual inhibition and cooperate with relevant part-units. This can be interpreted as a representation of the data manifold in which the categoricalunits are points on the manifold, and the part-units are akin to tangent vectors along the manifold. ",
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+ "type": "text",
+ "text": "1.1 Prior work ",
+ "text_level": 1,
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+ "text": "The encoder architecture of DrSAE is modeled after the Iterative Shrinkage and Threshold Algorithm (ISTA), a proximal method for sparse coding (Chambolle, et al., 1998; Daubechies, Defrise, & De Mol, 2004). Gregor & LeCun (2010) showed that the sparse representations computed by ISTA can be efficiently approximated by a structurally similar encoder with a less restrictive, learned parameterization. Rather than learn to approximate a precomputed optimal sparse code, the LISTA autoencoders of Sprechmann, Bronstein, & Sapiro (2012a,b) are trained to directly minimize the sparse reconstruction loss function. DrSAE extends LISTA autoencoders with a non-negativity constraint, which converts the shrink nonlinearity of LISTA into a rectified linear operator; and introduces a unified classification loss, as previously used in conjunction with traditional sparse coders (Bradley & Bagnell, 2008; Mairal, et al., 2009; Mairal, Bach, & Ponce, 2012) and other autoencoders (Boureau, et al., 2010; Ranzato & Szummer, 2008). ",
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+ "text": "DrSAEs resemble the structure of deep sparse rectifier neural networks (Glorot, Bordes, & Bengio, 2011), but differ in that the parameter matrices at each layer are tied (Bengio, BoulangerLewandowski, & Pascanu, 2012), the input projects to all layers, and the outputs are normalized. DrSAEs are also reminiscent of the recurrent neural networks investigated by Bengio & Gingras (1996), but use a different nonlinearity and a heavily regularized loss function. Finally, they are similar to the recurrent networks described by Seung (1998), but have recurrent connections amongst the hidden units, rather than between the hidden units and the input units, and introduce classification and sparsification losses. ",
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+ "text": "2 Network architecture ",
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+ "text": "In the following, we use lower-case bold letters to denote vectors, upper-case bold letters to denote matrices, superscripts to indicate iterative copies of a vector, and subscripts to index the columns (or rows, if explicitly specified by the context) of a matrix or (without boldface) the elements of a vector. We consider discriminative recurrent sparse auto-encoders (DrSAEs) of rectified linear units with the architecture shown in figure 1: ",
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+ "text": "$$\n\\mathbf { z } ^ { t + 1 } = \\operatorname* { m a x } \\left( 0 , \\mathbf { E } \\cdot \\mathbf { x } + \\mathbf { S } \\cdot \\mathbf { z } ^ { t } - \\mathbf { b } \\right)\n$$",
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+ "text": "for $t = 1 , \\dots , T$ , where $n$ -dimensional vector $\\mathbf { z } ^ { t }$ is the activity of the hidden units at iteration $t$ , $m$ - dimensional vector $\\mathbf { x }$ is the input, and $\\mathbf { z } ^ { t = 0 } = 0$ . Unlike traditional recurrent autoencoders (Bengio, Boulanger-Lewandowski, & Pascanu, 2012), the input projects to every iteration. We call the $n \\times m$ parameter matrix $\\mathbf { E }$ the encoding matrix, and the $n \\times n$ parameter matrix $\\mathbf { S }$ the explaining-away matrix. The $n$ -element parameter vector $\\mathbf { b }$ contains a bias term. The parameters also include the $m \\times n$ decoding matrix $\\mathbf { D }$ and the $l \\times n$ classification matrix $\\mathbf { C }$ . ",
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+ "text": "$$\nL ^ { U } = \\frac { 1 } { 2 } \\cdot \\left| \\left| \\mathbf { x } - \\mathbf { D } \\cdot \\mathbf { z } ^ { T } \\right| \\right| _ { 2 } ^ { 2 } + \\lambda \\cdot \\left| \\left| \\mathbf { z } ^ { T } \\right| \\right| _ { 1 } ,\n$$",
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+ "image_caption": [
+ "Figure 1: The discriminative recurrent sparse auto-encoder (DrSAE) architecture. $\\mathbf { z } ^ { t }$ is the hidden representation after iteration $t$ of $T$ , and is initialized to $\\mathbf { z } ^ { 0 } = 0$ ; $\\mathbf { x }$ is the input; and $\\mathbf { y }$ is the supervised classification. Overbars denote approximations produced by the network, rather than the true input. E, S, D, and $\\mathbf { b }$ are learned parameters. "
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+ "text": "with the magnitude of the columns of $\\mathbf { D }$ bounded by 1,1 and the magnitude of the rows of $\\mathbf { E }$ bounded by $\\textstyle { \\frac { 1 . 2 5 } { T } }$ .2 We then add in the supervised classification loss function ",
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+ "text": "$$\nL ^ { S } = \\mathrm { l o g i s t i c } _ { y } \\left( \\mathbf { C } \\cdot \\frac { \\mathbf { z } ^ { T } } { | | \\mathbf { z } ^ { T } | | } \\right) ,\n$$",
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+ "text": "where the multinomial logistic loss function is defined by ",
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+ "text": "$$\n\\mathrm { l o g i s t i c } _ { y } ( { \\bf z } ) = z _ { y } - \\log \\left( \\sum _ { i } e ^ { z _ { i } } \\right) ,\n$$",
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+ "text": "and $y$ is the index of the desired class.3 Starting with the parameters learned by the unsupervised pretraining, we perform discriminative fine-tune by stochastic gradient descent on $L ^ { U } + \\dot { L } ^ { S }$ , with the magnitude of the rows of $\\mathbf { C }$ bounded by 5.4 The learning rate of each matrix is scaled down by the number of times it is repeated in the network, and the learning rate of the classification matrix is scaled down by a factor of 5, to keep the effective learning rate consistent amongst the parameter matrices. ",
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+ "text": "We train DrSAEs with $T = 1 1$ recurrent iterations (ten nontrivial passes through the explainingaway matrix S)5 and 400 hidden units on the MNIST dataset of $2 8 \\times 2 8$ grayscale handwritten digits (LeCun, et al., 1998), with each input normalized to have $\\ell _ { 2 }$ magnitude equal to 1. We use a training set of 50,000 elements, and a validation set of 10,000 elements to perform early-stopping. Encoding, decoding, and classification matrices learned via this procedure are depicted in figure 2. ",
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+ "text": "The dynamics of equation 1 are inspired by the Learned Iterative Shrinkage and Thresholding Algorithm (LISTA) (Gregor & LeCun, 2010), an efficient approximation to the sparse coding Iterative Shrinkage and Threshold Algorithm (ISTA) (Chambolle, et al., 1998; Daubechies, Defrise, & De ",
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+ "Figure 2: The hidden units differentiate into spatially localized part-units, which have well-aligned encoders and decoders; and global prototype categorical-units, which have poorly aligned encoders and decoders. A subset of the rows of encoding matrix $\\mathbf { E }$ (a) and the columns of decoding matrix D (b), and all rows of the classification matrix $\\mathbf { C }$ (c) after training. The first row of (a,b) shows the most categorical units; the last row contains the least categorical units; and the middle row evenly steps through the remaining units in order of categoricalness. Gray pixels denote connections with weight 0; darker pixels indicate more positive connections. "
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+ "text": "Mol, 2004). ISTA is an algorithm for minimizing the $\\ell _ { 1 }$ -regularized reconstruction loss function $L ^ { U }$ of equation 2 with respect to ${ \\mathbf z } ^ { T }$ . It is defined by the iterative step ",
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+ "type": "equation",
+ "img_path": "images/1348982e15f03acc1e429ff9dbee174a5ae5f37663fd736a838e980808f4b4b7.jpg",
+ "text": "$$\n{ \\bf z } ^ { t + 1 } = h _ { \\alpha \\cdot \\lambda } \\left( \\alpha \\cdot { \\bf D } ^ { \\top } \\cdot { \\bf x } + \\left( { \\bf I } - \\alpha \\cdot { \\bf D } ^ { \\top } \\cdot { \\bf D } \\right) \\cdot { \\bf z } ^ { t } \\right) ,\n$$",
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+ "text": "where $\\left[ h _ { \\theta } ( \\mathbf { x } ) \\right] _ { i } = { \\mathrm { s i g n } } \\left( x _ { i } \\right) \\cdot { \\mathrm { m a x } } \\left( 0 , | x _ { i } | - \\theta \\right)$ and $\\alpha$ is a small step-size parameter. With nonnegative units, ISTA is equivalent to projected gradient descent of $L ^ { U }$ of equation 2. As the number of iterations $T \\to \\infty$ , a DrSAE defined by equation 1 becomes a non-negative version of ISTA if it satisfies the restrictions: ",
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+ "type": "equation",
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+ "text": "$$\n{ \\bf E } = \\alpha \\cdot { \\bf D } ^ { \\top } , \\qquad { \\bf S } = { \\bf I } - \\alpha \\cdot { \\bf D } ^ { \\top } \\cdot { \\bf D } , \\qquad b _ { i } = \\alpha \\cdot \\lambda , \\quad \\mathrm { ~ a n d ~ } \\quad z _ { i } ^ { t } \\geq 0 ,\n$$",
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+ "type": "text",
+ "text": "where the positive scale factor $\\alpha$ is less than the maximal eigenvalue of $\\mathbf { D } ^ { \\top } \\cdot \\mathbf { D }$ , and $\\mathbf { I }$ is the $n \\times n$ identity matrix. ",
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+ "text": "As in LISTA, but unlike ISTA, the encoding matrix $\\mathbf { E }$ and explaining-away matrix S in a DrSAE are independent of the decoding matrix $\\mathbf { D }$ . Connections from the input to the hidden units, and recurrent connections between the hidden units, are all-to-all, so the network structure is agnostic to permutations of the input. DrSAEs can also be understood as deep, feedforward networks with the parameter matrices tied between the layers. ",
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+ "type": "text",
+ "text": "3 Analysis of the hidden unit representation ",
+ "text_level": 1,
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+ "text": "Discriminative fine-tuning naturally induces the hidden units of a DrSAE to differentiate into a hierarchy-like continuum. On one extreme are part-units, which perform an ISTA-like sparse coding computation; on the other are categorical-units, which use a sophisticated form of pooling to integrate over matching part-units, and implement winner-take-all dynamics amongst themselves. Converging lines of evidence indicate that these two groups use distinct computational mechanisms and serve different representational roles. ",
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+ "text": "In the ISTA algorithm, each row of the encoding matrix $\\mathbf { E } _ { i }$ (which we sometimes call the encoder of unit $i$ ) is proportional to the corresponding column of the decoding matrix $\\mathbf { D } _ { i }$ (which we call the decoder of unit $i$ ), and each row $( \\mathbf { S } - \\mathbf { I } ) _ { i }$ is proportional to $\\left( \\mathbf { D } _ { i } \\right) ^ { \\top } \\cdot \\bar { \\mathbf { D } }$ , as in equation 4. As a result, the angle between $\\mathbf { E } _ { i }$ and $\\mathbf { D } _ { i }$ , and the angle between the rows of $\\mathbf { S } - \\mathbf { I }$ and $\\mathbf { D } ^ { \\top } \\cdot \\mathbf { D }$ , are both simple measures of the degree to which a unit’s dynamics follow the ISTA algorithm, and thus perform sparse coding.6 These quantities are equal to 0 in the case of perfect ISTA, and grow larger as the network diverges from ISTA. Of these two angles, the explaining-away matrix comparison is more difficult to interpret, since a distortion of any one unit’s decoding column $\\mathbf { D } _ { i }$ will affect all rows of $\\mathbf { D } ^ { \\top } \\cdot \\mathbf { D }$ , whereas the angle between the encoder row $\\mathbf { E } _ { i }$ and decoder column $\\mathbf { D } _ { i }$ only depends upon a single unit. For this reason, we use the angle between the encoder row and decoder column as a measure of the position of each unit on the part/categorical continuum. ",
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+ "Figure 3: The hidden units differentiate into two populations after discriminative fine-tuning. The magnitude of row $( \\mathbf { S } - \\mathbf { I } ) _ { i }$ (a,b,e) and $\\mathbf { C } _ { i }$ (c,d), versus the angle between encoder row and decoder column, for each unit from networks using 11 (a,c,e) and 2 (b,d,f) iterations. All plots are from discriminatively fine-tuned networks except (a,b), which are only subject to unsupervised pretraining. We call the dense cloud in the bottom-left part-units, and the tail extending to the top-right categorical-units. "
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+ "text": "Figure 3 plots, for each unit $i$ , the magnitude of row $( \\mathbf { S } - \\mathbf { I } ) _ { i }$ and column $\\mathbf { C } _ { i }$ , versus the angle between row $\\mathbf { E } _ { i }$ and column $\\mathbf { D } _ { i }$ . Before discriminative fine-tuning, there are no categorical-units; the angle between the encoder row and decoder column is small and the incoming recurrent connections are weak for all units, as in figure 3(a,b). After discriminative fine-tuning, there remains a dense cloud of points for which the angle between the encoder row and decoder column is very small, and the incoming recurrent and outgoing classification connections are weak. Abutting this is an extended tail of points that have a larger angle between the encoder row and decoder column, and stronger incoming recurrent and outgoing classification connections. We call units composing the dense cloud part-units, since they have ISTA-compatible connections, while we refer to those making up the extended tail as categorical-units, since they have strong connections to the classification output.7 When trained on MNIST, part-units have localized, pen stroke-like decoders, as can be seen in the bottom rows of figure 2(a,b). Categorical-units, in contrast, tend to have whole-digit prototype-like decoders, as in the top rows of figure 2(a,b). Discriminative fine-tuning induces the differentiation of categorical-units regardless of the depth of the encoder. ",
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+ "text": "3.1 Part-units ",
+ "text_level": 1,
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+ "text": "Examination of the relationship between the elements of $\\mathbf { S } - \\mathbf { I }$ and $\\mathbf { D } ^ { \\top } \\cdot \\mathbf { D }$ confirms that partunits with an encoder-decoder angle less than 0.5 radians abide by ISTA, and so perform sparse coding on the residual input after the categorical-unit prototypes are subtracted out. The prominent diagonals with matching slopes in figure 4(a,b), which plot the value of $S _ { i , j } - \\delta _ { i , j }$ versus $\\mathbf { D } _ { i } \\cdot \\mathbf { D } _ { j }$ for connections between part-units, and from categorical-units to part-units, respectively, demonstrate that part-units receive ISTA-consistent connections from all units. The fidelity of these connections to the ISTA ideal is not strongly dependent upon whether the afferent units are ISTA-compliant partunits, or ISTA-ignoring categorical-units. As a result, the part-units treat the categorical-units as if they were also participating in the reconstruction of the input, and only attempt to reconstruct the residual input not explained by the categorical-unit prototypes. ",
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+ "text": "As can be seen in figure 4(c), the degree to which the encoder conforms to the ISTA algorithm is strongly correlated with the degree to which the explaining-away matrix matches the ISTA algorithm. Figure 5 shows the decoders associated with the strongest recurrent connections to three representative part-units. As expected, the decoders of these afferent units tend to be strongly aligned or anti-aligned with their target’s decoder, and include both part-units and categorical-units. ",
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+ "text": "3.2 Categorical-units ",
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+ "text": "In contrast, the recurrent connections to categorical-units with an encoder-decoder angle greater than 0.7 radians are not strongly correlated with the values predicted by ISTA. Rather than analyzing connections to the categorical-units only based upon their destination, it is more informative to consider them organized by their source. Part-units are compatible with categorical-units of certain classes,8 and not with others, as shown by figure 6(a). Part-units generally have positive connections to categorical-units with parallel prototypes, independent of offset, and negative connections to categorical-units with orthogonal prototypes, as shown in figure 7(a). This corresponds to a sophisticated form of pooling (Jarrett, et al., 2009), with a single categorical-unit drawing excitation from a large collection of parallel but not necessarily perfectly aligned part-units, as in figure 6(c). It is also suggestive of the standard Hubel and Wiesel model of complex cells in primary visual cortex (Hubel & Wiesel, 1962). ISTA would instead predict a connection proportional to the inner product, which is zero for orthogonal prototypes and negative for anti-aligned prototypes. ",
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+ "text": "Part-units use sparse coding dynamics, and so are not disproportionately suppressed by categoricalunits that represent any particular class. However, each part-unit is itself compatible with (i.e., has positive connections to) categorical-units of only a subset of the classes. As a result, the categorical",
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+ "Figure 4: Part-units have connections consistent with ISTA. The actual connection weights $\\mathbf { S } - \\mathbf { I }$ versus the ISTA-predicted weights $\\mathbf { D } ^ { \\top } \\cdot \\mathbf { D }$ , for connections from part-units to part-units (a) and categorical-units to part-units (b); and the angle between the rows of $\\mathbf { S } - \\mathbf { I }$ and the ISTA-ideal $\\mathbf { D } ^ { \\top } \\cdot \\mathbf { D }$ versus the angle between the encoder rows and decoder columns (c). Units are considered part-units if the angle between their encoder and decoder is less than 0.5 radians, and categoricalunits if the angle between their encoder and decoder is greater than 0.7 radians. "
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+ "text": "Dest Source units ",
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+ "Figure 5: Part-units receive ISTA-compatible connections and thus perform sparse coding on the residual input after the contribution of the categorical-units is subtracted out. The decoders of the twenty units with the strongest explaining-away connections $\\lvert S _ { i , j } - \\delta _ { i , j } \\rvert$ to three typical part-units, sorted by connection magnitude. The left-most column depicts the decoder of the recipient partunit. The bars above the decoders in the remaining columns indicate the strength of the connections. Black bars are used for positive connections, and white bars for negative connections. "
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+ "text": "units and thus the class chosen are determined by the part-unit activations. In particular, only a subset of the possible deformations implemented by part-unit decoders are freely available for each prototype, since part-units with a strong negative connection to a categorical-unit will tend to silence it, and so cannot be used to transform the prototype of that categorical-unit. ",
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+ "text": "Categorical-units implement winner-take-all-like dynamics amongst themselves, as shown in figure 6(b), with negative connections to most other categorical-units. Positive total self-connections $S _ { i , i }$ facilitate the integration of inputs over time. ",
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+ "image_caption": [
+ "Figure 6: Categorical-units execute a sophisticated form of pooling over part-units, and have winnertake-all dynamics amongst themselves. The decoders of the categorical-units receiving the twenty strongest connections $| \\bar { S } _ { i , j } - \\delta _ { i , j } |$ from representative part-units (a) and categorical-units (b), and the decoders of the part-units sending the twenty strongest projections to representative categoricalunits (c). The connections are sorted first by the class of their destination, and then by the magnitude of the connection. The left-most column depicts the decoder of the source (a,b) or destination (c) unit. The bars above the decoders in the remaining columns indicate the strength of the connections. Black bars are used for positive connections, and white bars for negative connections. "
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+ "text": "When activated, the categorical-units make a much larger contribution to the reconstruction than any single part-unit, as can be seen in figure 7(b). Since, the projections from categorical-units to part-units are consistent with ISTA, the magnitude of the categorical-unit contribution to the reconstruction need not be tightly regulated. The part-units adjust accordingly to accommodate whatever residual is left by the categorical-units. ",
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+ "text": "The units form a rough hierarchy, with part-units on the bottom and categorical-units on the top. Categorical-units receive strong recurrent connections, as shown in figure 3(c,d) implying that their activity is more determined by other hidden units and less by the input (since the magnitude of the input connections is bounded), and thus they are higher in the hierarchy. As shown in figure 7(c), part-units receive most of their input from other part-units; categorical-units receive a larger fraction of their input from other categorical-units. Whereas part-units have well-structured encoders and are generally activated directly by the input on the first iteration, categorical-units are more likely to first achieve a non-zero activation on the second iteration, as shown in figure 7(d), suggesting that they require stimulation from part-units. The immediate response of part-units in contrast to the gradual refinement of categorical-units is apparent in figure 8, which shows the optimal decoding matrix for selected units, inferred from their observed activity at each iteration. ",
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+ "text": "4 Performance ",
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+ "text": "The comparison of MNIST classification performance in table 1 demonstrates the power of the hierarchical representation learned by DrSAEs. Rather than learn to minimize the sum of equations 2 and 3, Gregor & LeCun (2010) train the LISTA encoder to approximate the code generated by a traditional sparse coder. While they do not report classification performance using LISTA, Gregor and LeCun do evaluate MNIST classification error using the related learned coordinate descent algorithm. Sprechmann, Bronstein, & Sapiro (2012a,b) extend this approach by training a LISTA auto-encoder to reconstruct the input directly, using loss functions similar to equation 2. Although they identify the possibility of using regularization dependent upon supervised information, Sprechmann and colleagues do not consider a parameterized classifier operating on a common hidden representation. Instead, they train a separate encoder for each class, and classify each input based upon the encoder with the lowest sparse coding error. DrSAEs significantly outperform these other techniques based upon a LISTA encoder. ",
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+ "Figure 7: Statistics of connections indicate the presence of a rough hierarchy, with categorical-units on the top integrating over part-units on the bottom. Average explaining-away connection weight $S _ { i j }$ , binned by alignment between decoders, for connections from part-units to categorical-units (a). If no units fall in a given bin, the average is set to zero. Average final value of a unit $z _ { i } ^ { t = T }$ , given that $z _ { i } ^ { t = T } > 0$ , versus the angle between the encoder row $E _ { i }$ and decoder column $D _ { i }$ (b). Average angle between encoder row $E _ { j }$ and decoder column $D _ { j }$ of afferents to unit $i$ , weighted by the strength of the connection to unit $i$ , versus the angle between encoder row $E _ { i }$ and decoder column $D _ { i }$ (c). Probability that $z _ { i } ^ { 1 } = 0$ and $z _ { i } ^ { 2 } > 0$ , versus the angle between the encoder row $E _ { i }$ and decoder column $D _ { i }$ (d). Average value of the decoder column $\\overline { { D _ { i } } }$ versus the angle between the encoder row $E _ { i }$ and the decoder column $D _ { i }$ (e). "
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+ "text": "DrSAEs also perform well compared to other techniques using encoders related to LISTA. Deep sparse rectifier neural networks (Glorot, Bordes, & Bengio, 2011) combine discriminative training with an encoder similar to LISTA, but do not tie the parameters between the layers and only allow the input to project to the first layer. Differentiable sparse coding (Bradley & Bagnell, 2008) and supervised dictionary learning (Mairal, et al., 2009) also train discriminatively, but effectively use an infinite-depth ISTA-like encoder, and are thus much less computationally efficient than DrSAEs. Supervised dictionary learning achieves performance statistically indistinguishable from DrSAEs using a contrastive loss function. A similar technique achieves MNIST classification error as low as $0 . 5 4 \\%$ when the dataset is augmented with shifted copies of the inputs (Mairal, Bach, & Ponce, 2012). ",
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+ "Figure 8: Part-units (a) respond to the input quickly, while the activity of categorical-units (b) refines slowly. Columns of the optimal decoding matrices $\\mathbf { D } ^ { t }$ minimizing the input reconstruction error $| | \\mathbf { x } - \\mathbf { D } ^ { t } \\cdot \\mathbf { z } ^ { t } | | _ { 2 } ^ { 2 }$ from the hidden representation $\\mathbf { z } ^ { t }$ for $t = 1 , \\dots , T$ . The first and last columns show the corresponding encoder and decoder for the chosen representative units. Intermediate columns represent successive iterations $t$ . "
+ ],
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+ {
+ "type": "table",
+ "img_path": "images/cab6d7c9aa74f52b0d98928db23e0bab3d3958fabcd61923d88d3cae8c0f9d76.jpg",
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+ "Table 1: MNIST classification error rate $( \\% )$ for pixel-permutation-agnostic encoders without boosting-like augmentations. The first column indicates the size of each layer in the specified encoder, separated by hyphens. Exponents specify the number of recurrent iterations; asterisks denote repetition to convergence. $1 0 \\times ( \\cdots )$ indicates that a separate encoder is trained for each input class; $4 5 \\times ( \\cdots )$ indicates that a separate encoder is trained for each pairwise binary classification problem. Further performance improvements have been reported with regularization techniques such as dropout, architectures that enforce translation-invariance, and datasets augmented by deformations, as discussed in the main text. "
+ ],
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+ "table_body": "| LISTA auto-encoder,10 × (289-1005) (Sprechmann,Bronstein,& Sapiro,2012a) | | 3.76(5.98 with 289 hidden units) |
| Learned coordinate descent, 784-78450-10 (Gregor & LeCun, 2010) | 2.29 | |
| Differentiable sparse coding,180-256*-10 (Bradley & Bagnell, 2008) | 1.30 | 1.20(1.16 with tanh nonlinearity) |
| Deep sparse rectifier neural network 784-1000-1000-1000-10 (Glorot, Bordes,& Bengio,2011) | | |
| Deep belief network, 784-500-500-2000-10 (Hinton, et al.,2012) | | 1.18(0.92 with dropout) |
| Discriminative recurrent sparse auto-encoder1.08(1.21 with 2OO hidden units) 784-40011-10 | | |
| Supervised dictionary learning, 45 × (784-24*) to 45 × (784-96*) (Mairal, et al., 2009) | | 1.05(3.56 without contrastive loss) |
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+ "text": "Additional regularizations and boosting-like techniques can further improve performance of networks with LISTA-like encoders. Recent examples include dropout, which trains and then averages over a large set of random subnetworks formed by removing a constant fraction of the hidden units from the original network (Goodfellow, et al., 2013; Hinton, et al., 2012). Deep belief networks and deep Boltzmann machines fine-tuned with dropout are the current state-of-the-art for pixelpermutation-agnostic handwritten digit recognition (Hinton, et al., 2012), and can achieve MNIST classification error as low as $0 . 7 9 \\%$ with a carefully tuned network structure and multi-step training procedure. Deep convex networks, which iteratively refine the classification by successively training a stack of classifiers, with the output of the $i - 1 \\mathrm { s t }$ classifier provided as input to the ith classifier, can achieve an MNIST error of $0 . 8 3 \\%$ (Deng & Yu, 2011). Regularizing by explicit modeling of the data manifold, and then minimizing the square of the Jacobian of the output along the tangent bundle around the training datapoints, can reduce MNIST error to $0 . 8 1 \\%$ (Rifai, et al., 2011). Further performance improvements are possible if translation invariance is built directly into the network via a convolutional architecture, and deformations of the inputs are included in the training set (LeCun, et al., 1998), yielding error as low as $0 . 2 3 \\%$ (Ciresan, Meier, & Schmidhuber, 2012). These regularizations and augmentations are potentially compatible with DrSAE, but we defer their exploration to future work. ",
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+ "text": "Recurrence is essential to the performance of DrSAEs. If the number of recurrent iterations is decreased from eleven to two, MNIST classification error in a network with 400 hidden units increases from $1 . 0 8 \\%$ to $1 . 3 2 \\%$ . With only 200 hidden units, MNIST classification error increases from $1 . 2 1 \\%$ to $1 . 4 9 \\%$ , although the hidden units still differentiate into part-units and categorical-units, as shown in figure 3(d,f). ",
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+ "text": "5 Discussion ",
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+ "text": "It is widely believed that natural stimuli, such as images and sounds, fall near a low-dimensional manifold within a higher-dimensional space (the manifold hypothesis) (Bengio, Courville, & Vincent, 2012; Lee, Pedersen, & Mumford, 2003; Olshausen & Field, 2004). The low-dimensional data manifold provides an intuitively compelling and empirically effective basis for classification (Rifai, et al., 2011; Simard, LeCun, & Denker, 1993; Simard, et al., 1998). The continuous deformations that define the data manifold usually preserve identity, whereas even relatively small invalid transformations may change the class of a stimulus. For instance, the various handwritten renditions of the digit 3 in in the last column of figure 9(c) barely overlap, and so the Euclidean distance between them in pixel space is greater than that to the nearest 8 formed by closing both loops. Nevertheless, smooth deformations of one 3 into another correspond to relatively short trajectories along the data manifold,9 whereas the transformation of a 3 into an 8 requires a much longer path within the data manifold. A prohibitive amount of data is required to fully characterize the data manifold (Narayanan & Mitter, 2010), so it is often approximated by the set of linear submanifolds tangent to the data manifold at the observed datapoints, known as the tangent spaces (Ekanadham, Tranchina, & Simoncelli, 2011; Rifai, et al., 2011; Simard, et al., 1998). DrSAEs naturally and efficiently form a tangent space-like representation, consisting of a point on the data manifold indicated by the categorical-units, and a shift within the tangent space specified by the part-units. ",
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+ "text": "Before discriminative fine-tuning, DrSAEs perform a traditional part-based decomposition, familiar from sparse coding, as shown in figure 9(a). The decoding matrix columns are class-independent, local pen strokes, and many units make a comparable, small contribution to the reconstruction. After discriminative fine-tuning, the hidden units differentiate into sparse coding local part-units, and global prototype categorical-units that integrate over them. As shown in figure 9(b,c), the input is decomposed into a prototype, corresponding to a point on the data manifold; and a set of deformations from this prototype along the data manifold, corresponding to shifts within the tangent space. The same prototype can be used for very different inputs, as demonstrated in figure 9(c), since the space of deformations is rich enough to encompass diverse transformations without moving off the data manifold. Even when the prototype is very different from the input, all steps along the reconstruction trajectories in figure 9(b,c) are recognizable as members of the same class. ",
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+ "Figure 9: Discriminative recurrent sparse auto-encoders decompose the input into a prototype and deformations along the data manifold. The progressive reconstruction of selected inputs by the hidden representation before (a) or after (b,c) discriminative fine-tuning. The columns from left to right depict either the components of the reconstruction (top row of each pair), or the partial reconstruction induced by the first $n$ parts (bottom row of each pair). Parts are added to the reconstruction in order of decreasing contribution magnitude; smoother transformations are possible with an optimized sequence. The last two columns show the final reconstruction with all parts (Fin), and the original input (Inp). Bars above the decoding matrix columns indicate the scale factor/hidden unit activity associated with the column. "
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+ "text": "The prototypes learned by the categorical-units for each class are not simply the average over the elements of the class, as depicted in figure 10. Each class includes many possible input variations, so its average is blurry. The prototypes, in contrast, are sharp, and look like representative elements of the appropriate class. Many categorical-units are available for each class, as shown in figure 6. Not all categorical-units correspond to full prototypes; some capture global transformations of a prototype, such as rotations (Simard, et al., 1998). ",
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+ "text": "Consistent with prototypes for the non-negative MNIST inputs, the decoding matrix columns of the categorical-units are generally positive, as shown in figure 7(e). In contrast, the decoders of the part-units are approximately mean-zero and so cannot serve as prototypes themselves. Rather, they shift and transform prototypes, moving activation from one region in the image to another, as demonstrated in figure 9(b,c). ",
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+ "Figure 10: The prototypes learned by categorical-units resemble representative instances of the appropriate class, and are sharper than the average over all members of the class in the dataset. The left-most column in each group depicts the average over all elements of each of the ten MNIST digit classes. The other columns show the decoders of the associated units with the largest-magnitude columns in the classification matrix C. Bars above the decoders indicate the angle between the encoder and the decoder for the displayed unit. The most prototypical unit always makes the strongest contribution to the classification, and has a large (but not necessarily the largest) angle between its encoder and decoder. Some units that make large contributions to the classification represent global transformations, such as rotations, of a prototype (Simard, et al., 1998). "
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+ "text": "Discrepancies between the prototype and the input due to transformations along the data manifold are explained by class-consistent part-units, and only serve to further activate the categorical-units of that class, as in figure 6(a,c). Discrepancies between the prototype and the input due to deformations orthogonal to the data manifold are explained by class-incompatible part-units, and serve to suppress the categorical-units of that class, both directly and via activation of incompatible categorical-units. ",
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+ "text": "If the wrong prototype is turned on, the residual input will generally contain substantial unexplained components. Part-units obey ISTA-like dynamics and thus function as a sparse coder on the residual input, so part-units that match the unexplained components of the input will be activated. These partunits will have positive connections to categorical-units with compatible prototypes, and so will tend to activate categorical-units associated with the true class (so long as the unexplained components of the input are diagnostic). The spuriously activated categorical-unit will not be able to sustain its activity, since few compatible part-units will be required to capture the residual input. ",
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+ "text": "The classification approach used by DrSAEs is different from one based upon a traditional sparse coding decomposition: it projects into the space of deviations from a prototype, which is not the same as the space of prototype-free parts, as is clear from figure 9(a,b). For instance, a 5 can easily be constructed using the parts of a 6, making it difficult to distinguish the two. Indeed, the first seven progressive reconstruction steps of the 6 in figure 9(a) could just as easily be used to produce a 5. However, starting from a 6 prototype, the parts required to break the bottom loop are outside the data manifold of the 6 class, and so will tend to change the active prototype. ",
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+ "text": "DrSAEs naturally learn a hierarchical representation within a recurrent network, thereby implementing a deep network with parameter sharing between the layers. ",
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+ "text": "References ",
+ "text_level": 1,
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+ {
+ "type": "text",
+ "text": "Bengio, Y. (2009). Learning deep architectures for AI. Foundations and Trends in Machine Learning, 2(1), 1–127. \nBengio, Y., Boulanger-Lewandowski, N., & Pascanu, R. (2012). Advances in optimizing recurrent networks. arXiv:1212.0901v2 [cs.LG] \nBengio, Y., Courville, A., & Vincent, P. (2012). Representation learning: A review and new perspectives. arXiv:1206.5538 [cs.LG] \nBengio, Y., & Gingras, F. (1996). Recurrent neural networks for missing or asynchronous data. In D. Touretzky, M. Mozer, & M. Hasselmo (Eds.) Advances in Neural Information Processing Systems (NIPS 8) (pp. 395–401). \nBradley, D. M., & Bagnell, J. A. (2008). Differentiable sparse coding. In D. Koller, D. Schuurmans, Y. Bengio, & L. Bottou (Eds.) Advances in Neural Information Processing Systems (NIPS 21) (pp. 113–120). \nBoureau, Y., Bach, F., LeCun, L., & Ponce, J. (2010). 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Context-dependent pre-trained deep neural networks for large-vocabulary speech recognition. IEEE Transactions on Audio, Speech, and Language Processing, 20(1), 30–42. \nDaubechies, I., Defrise, M., & De Mol, C. (2004). An iterative thresholding algorithm for linear inverse problems with a sparsity constraint. Communications on Pure and Applied Mathematics, 57(11), 1413–1457. \nEkanadham, C., Tranchina, D., & Simoncelli, E. P. (2011). Recovery of sparse translation-invariant signals with continuous basis pursuit. IEEE Transactions on Signal Processing, 59(10), 4735– 4744. \nGlorot, X., Bordes, A., & Bengio, Y. (2011). Deep sparse rectifier neural networks. In G. Gordon, D. Dunson, & M. Dudik (Eds.) JMLR W&CP: Proceedings of the Fourteenth International Conference on Artificial Intelligence and Statistics (AISTATS 2011) (pp. 315–323). \nGoodfellow, I. J., Warde-Farley, D., Mirza, M., Courville, A., & Bengio, Y. (2013). Maxout networks arXiv:1302.4389v3 [stat.ML] \nGregor, K., & LeCun, Y. (2010). Learning fast approximations of sparse coding. In J. Furnkranz ¨ & T. Joachims (Eds.) Proceedings of the 27th International Conference on Machine Learning (ICML 2010) (pp. 399–406). \nHinton, G. E., Osindero, S., & Teh, Y. W. (2006). A fast learning algorithm for deep belief nets. Neural Computation, 18(7), 1527–1554. \nHinton, G. (2010). A practical guide to training restricted Boltzmann machines (UTML TR 2010- 003, version 1). Toronto, Canada: University of Toronto, Department of Computer Science. \nHinton, G. E., Srivastava, N., Krizhevsky, A., Sutskever, I., & Salakhutdinov, R. R. (2012). Improving neural networks by preventing co-adaptation of feature detectors arXiv:1207.0580v1 [cs.NE] \nHubel, D. H., & Wiesel, T. N. (1962). Receptive fields, binocular interaction and functional architecture in the cat’s visual cortex. The Journal of Physiology, 160(1), 106–154. \nJarrett, K., Kavukcuoglu, K., Ranzato, M. A., & LeCun, Y. (2009). What is the best multi-stage architecture for object recognition? In Proceedings of the 12th International Conference on Computer Vision (ICCV 2009) (pp. 2146–2153). \nLeCun, Y., Bottou, L., Bengio, Y., & Haffner, P. (1998). Gradient-based learning applied to document recognition. Proceedings of the IEEE, 86(11), 2278–2324. \nLee, A. B., Pedersen, K. S., & Mumford, D. (2003). The nonlinear statistics of high-contrast patches in natural images. International Journal of Computer Vision, 54(1), 83–103. \nLee, H., Ekanadham, C., & Ng, A. (2008). Sparse deep belief net model for visual area V2. In J. C. Platt, D. Koller, Y. Singer & S. Roweis (Eds.) Advances in Neural Information Processing Systems (NIPS 20), (pp. 873–880). \nMairal, J., Bach, F., Ponce, J., Sapiro, G., & Zisserman, A. (2009). Supervised dictionary learning. In D. Koller, D. Schuurmans, Y. Bengio, & L. Bottou (Eds.) Advances in Neural Information Processing Systems (NIPS 21) (pp. 1033–1040). \nMairal, J., Bach, F., & Ponce, J. (2012). Task-driven dictionary learning. IEEE Transactions on Pattern Analysis and Machine Intelligence, 34(4), 791–804. \nNair, V., & Hinton, G. E. (2010). Rectified linear units improve restricted boltzmann machines. In J. Furnkranz & T. Joachims (Eds.) ¨ Proceedings of the 27th International Conference on Machine Learning (ICML 2010) (pp. 807-814). \nNarayanan, H. & MItter, S. (2010). Sample complexity of testing the manifold hypothesis. In J. Lafferty, C. K. I. Williams, J. Shawe-Taylor, R.S. Zemel, & A. Culotta (Eds.) Advances in Neural Information Processing Systems (NIPS 23) (pp. 1786–1794). \nOlshausen, B. A., & Field, D. J. (1996). Emergence of simple-cell receptive field properties by learning a sparse code for natural images. Nature, 381(6583), 607–609. \nOlshausen, B. A., & Field, D. J. (1997). Sparse coding with an overcomplete basis set: A strategy employed by VI? Vision Research, 37(23), 3311–3326. \nOlshausen, B. A., & Field, D. J. (2004). Sparse coding of sensory inputs. Current opinion in neurobiology, 14(4), 481–487. \nRanzato M., Poultney, C., Chopra, S., & LeCun, Y. (2006). Efficient learning of sparse representations with an energy-based model. In B. Scholkopf, J. Platt, & T. Hoffman (Eds.) ¨ Advances in Neural Information Processing Systems (NIPS 19), (pp. 1137–1144). \nRanzato, M., & Szummer, M. (2008). Semi-supervised learning of compact document representations with deep networks In A. McCallum & S. Roweis (Eds.), Proceedings of the 25th Annual International Conference on Machine Learning (ICML 2008) (pp. 792–799). \nRifai, S., Dauphin, Y., Vincent, P., Bengio, Y., & Muller, X. (2011). The manifold tangent classifier. In J. Shawe-Taylor, R. S. Zemel, P. Bartlett, F. C. N. Pereira, & K. Q. Weinberger (Eds.) Advances in Neural Information Processing Systems (NIPS 24) (pp. 2294–2302). \nRumelhart, D. E., Hinton, G. E., & Williams, R. J. (1986). Learning internal representations by error propagation. In D. E. Rumelhart, J. L. McClelland, and the PDP Research Group (Eds.), Parallel Distributed Processing: Explorations in the Microstructure of Cognition: Vol. 1. Foundations (pp. 318–362). Cambridge, MA: MIT Press. \nSalinas, E., & Abbott, L. F. (1996). A model of multiplicative neural responses in parietal cortex. Proceedings of the National Academy of Sciences of the United States of America, 93(21), 11956– 11961. \nSeung, H. S. (1998). Learning continuous attractors in recurrent networks. In M. I. Jordan, M. J. Kearns, & S. A. Solla (Eds.) Advances in Neural Information Processing Systems (NIPS 10) (pp. 654–660). \nSimard, P., LeCun, Y., & Denker, J. S. (1993). Efficient pattern recognition using a new transformation distance. In S. J. Hanson, J. D. Cowan, & C. L. Giles (Eds.) Advances in Neural Information Processing Systems (NIPS 5) (pp. 50–58). \nSimard, P., LeCun, Y., Denker, J., & Victorri, B. (1998). Transformation invariance in pattern recognition: Tangent distance and tangent propagation. In G. Orr, & K. Muller (Eds.), Neural networks: Tricks of the trade. Berlin: Springer. \nSprechmann, P., Bronstein, A., & Sapiro, G. (2012). Learning efficient structured sparse models. In J. Langford & J. Pineau (Eds.) Proceedings of the 29th International Conference on Machine Learning (ICML 12) (pp. 615–622). \nSprechmann, P., Bronstein, A., & Sapiro, G. (2012). Learning efficient sparse and low rank models. arXiv:1212.3631 [cs.LG] \nDeng, L. & Yu, D. (2011). Deep convex net: A scalable architecture for speech pattern classification. In Proceedings of the 12th Annual Conference of the International Speech Communication Association (INTERSPEECH 2011) (pp. 2285-2288). \nZeiler, M. D., Taylor, G. W., & Fergus, R. (2011). Adaptive deconvolutional networks for mid and high level feature learning. In Proceedings of the 13th International Conference on Computer Vision (ICCV 2011) (pp. 2018–2025). ",
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diff --git a/parse/train/rJwelMbR-/rJwelMbR-.md b/parse/train/rJwelMbR-/rJwelMbR-.md
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+# DIVIDE-AND-CONQUER REINFORCEMENT LEARNING
+
+Dibya Ghosh1, Avi Singh1, Aravind Rajeswaran2, Vikash Kumar2, Sergey Levine1
+
+1 University of California Berkeley 2 University of Washington Seattle dibya@berkeley.edu, avisingh@cs.berkeley.edu, {aravraj, vikash}@cs.washington.edu, svlevine@eecs.berkeley.edu
+
+# ABSTRACT
+
+Standard model-free deep reinforcement learning (RL) algorithms sample a new initial state for each trial, allowing them to optimize policies that can perform well even in highly stochastic environments. However, problems that exhibit considerable initial state variation typically produce high-variance gradient estimates for model-free RL, making direct policy or value function optimization challenging. In this paper, we develop a novel algorithm that instead partitions the initial state space into “slices”, and optimizes an ensemble of policies, each on a different slice. The ensemble is gradually unified into a single policy that can succeed on the whole state space. This approach, which we term divide-and-conquer $R L$ , is able to solve complex tasks where conventional deep RL methods are ineffective. Our results show that divide-and-conquer RL greatly outperforms conventional policy gradient methods on challenging grasping, manipulation, and locomotion tasks, and exceeds the performance of a variety of prior methods. Videos of policies learned by our algorithm can be viewed at https://sites.google.com/view/dnc-rl/.
+
+# 1 INTRODUCTION
+
+Deep reinforcement learning (RL) algorithms have demonstrated an impressive potential for tackling a wide range of complex tasks, from game playing (Mnih et al., 2015) to robotic manipulation (Levine et al., 2016; Kumar et al., 2016; Popov et al., 2017; Andrychowicz et al., 2017). However, many of the standard benchmark tasks in reinforcement learning, including the Atari benchmark suite (Mnih et al., 2013) and all of the OpenAI gym continuous control benchmarks (Brockman et al., 2016) lack the kind of diversity that is present in realistic environments.
+
+One of the most compelling use cases for RL algorithms is to create autonomous agents that can interact intelligently with diverse stochastic environments. However, such environments present a major challenge for current RL algorithms. Environments which require a lot of diversity can be expressed in the framework of RL as having a “wide” stochastic initial state distribution for the underlying Markov decision process. Highly stochastic initial state distributions lead to highvariance policy gradient estimates, which in turn hamper effective learning. Similarly, diversity and variability can also be incorporated by picking a wide distribution over goals.
+
+In this paper, we explore RL algorithms that are especially well-suited for tasks with a high degree of variability in both initial and goal states. We argue that a large class of practically interesting real-world problems fall into this category, but current RL algorithms are poorly equipped to handle them, as illustrated in our experimental evaluation. Our main observation is that, for tasks with a high degree of initial state variability, it is often much easier to obtain effective solutions to individual parts of the initial state space and then merge these solutions into a single policy, than to solve the entire task as a monolithic stochastic MDP. To that end, we can autonomously partition the state distribution into a set of distinct “slices,” and train a separate policy for each slice. For example, if we imagine the task of picking up a block with a robotic arm, different slices might correspond to different initial positions of the block. Similarly, for placing the block, different slices will correspond to the different goal positions. For each slice, the algorithm might train a different policy with a distinct strategy. As the training proceeds, we can gradually merge the distinct policies into a single global policy that succeeds in the entire space, by employing a combination of mutual KL-divergence constraints and supervised distillation.
+
+It may at first seem surprising that this procedure provides benefit. After all, if the final global policy can solve the entire task, then surely each local policy also has the representational capacity to capture a strategy that is effective on the entire initial state space. However, it is worth considering that a policy in a reinforcement learning algorithm must be able to represent not only the final optimal policy, but also all of the intermediate policies during learning. By decomposing these intermediate policies over the different slices of the initial state space, our method enables effective learning even on tasks with very diverse initial state and goal distributions. Since variation in the initial state distribution leads to high variance gradient estimates, this strategy also benefits from the fact that gradients can be better estimated in the local slices leading to accelerated learning. Intermediate supervised distillation steps help share information between the local policies which accelerates learning for slow learning policies, and helps policies avoid local optima.
+
+The main contribution of this paper is a reinforcement learning algorithm specifically designed for tasks with a high degree of diversity and variability. We term this approach as divide-and-conquer (DnC) reinforcement learning. Detailed empirical evaluation on a variety of difficult robotic manipulation and locomotion scenarios reveals that the proposed DnC algorithm substantially improves the performance over prior techniques.
+
+# 2 RELATED WORK
+
+Prior work has addressed reinforcement learning tasks requiring diverse behaviors, both in locomotion (Heess et al., 2017) and manipulation (Osa et al., 2016; Kober et al., 2012; Andrychowicz et al., 2017; Nair et al., 2017; Rajeswaran et al., 2017a). However, these methods typically make a number of simplifications, such as the use of demonstrations to help guide reinforcement learning (Osa et al., 2016; Kober et al., 2012; Nair et al., 2017; Rajeswaran et al., 2017a), or the use of a higher-level action representation, such as Cartesian end-effector control for a robotic arm (Osa et al., 2016; Kober et al., 2012; Andrychowicz et al., 2017; Nair et al., 2017). We show that the proposed DnC approach can solve manipulation tasks such as grasping and catching directly in the low-level torque action space without the need for demonstrations or a high-level action representation.
+
+The selection of benchmark tasks in this work is significantly more complex than those leveraging Cartesian position action spaces in prior work (Andrychowicz et al., 2017; Nair et al., 2017) or the relatively simple picking setup proposed by Popov et al. (2017), which consists of minimal task variation and a variety of additional shaping rewards. In the domain of locomotion, we show that our approach substantially outperforms the direct policy search method proposed by Heess et al. (2017). Curriculum learning has been applied to similar problems in reinforcement learning, with approaches that require the practitioner to design a sequence of progressively harder subsets of the initial state distribution, culminating in the original task (Asada et al., 1996; Karpathy & van de Panne, 2012). Our method allows for arbitrary decompositions, and we further show that DnC can work with automatically generated decompositions without human intervention.
+
+Our method is related to guided policy search (GPS) algorithms (Levine & Koltun, 2013; Mordatch & Todorov, 2014; Levine et al., 2016). These algorithms train several “local” policies by using a trajectory-centric reinforcement learning method, and a single “global” policy, typically represented by a deep neural network, which attempts to mimic the local policies. The local policies are constrained to the global policy, typically via a KL-divergence constraint. Our method also trains local policies, though the local policies are themselves represented by more flexible, nonlinear neural network policies. Use of neural network policies significantly improves the representational power of the individual controllers and facilitates the use of various off-the-shelf reinforcement learning algorithms. Furthermore, we constrain the various policies to one another, rather than to a single central policy, which we find substantially improves performance, as discussed in Section 5.
+
+Along similar lines, Teh et al. (2017) propose an approach similar to GPS for the purpose of transfer learning, where a single policy is trained to mimic the behavior of policies trained in specific domains. Our approach resembles GPS, in that we decompose a single complex task into local pieces, but also resembles Teh et al. (2017), in that we use nonlinear neural network local policies. Although Teh et al. (2017) propose a method intended for transfer learning, it can be adapted to the setting of stochastic initial states for comparison. We present results demonstrating that our approach substantially outperforms the method of Teh et al. (2017) in this setting.
+
+# 3 PRELIMINARIES
+
+An episodic Markov decision process (MDP) is defined as $\mathbf { M } = ( S , \mathcal { A } , P , r , \rho )$ where $s , A$ are continuous sets of states and actions respectively. $P ( s ^ { \prime } , s , a )$ is the transition probability distribution, $r : { \mathcal { S } } \mathbb { R }$ is the reward function, and $\rho : S \to \mathbb { R } _ { + }$ is the initial state distribution. We consider a modified MDP formulation, where the initial state distribution is conditioned on some variable $\omega$ , which we refer to as a “context.” Formally, $\Omega = ( \omega _ { i } ) _ { i = 1 } ^ { n }$ is a finite set of contexts, and $\rho : \Omega \times S $ $\mathbb { R } _ { + }$ is a joint distribution over contexts $\omega$ and initial states $s _ { 0 }$ . One can imagine that sampling initial states is a two stage process: first, contexts are sampled as $\rho ( \omega )$ , and then initial states are drawn given the sampled context as $\rho ( s | \omega )$ . Note that this formulation of a MDP with context is unrelated to the similarly named “contextual MDPs” (Hallak et al., 2015).
+
+For an arbitrary MDP, one can embed the context into the state as an additional state variable with independent distribution structure that factorizes as $P ( s _ { 0 } , \omega ) = P ( s _ { 0 } | \omega ) P ( \omega )$ . The context will provide us with a convenient mechanism to solve complex tasks, but we will describe how we can still train policies that, at convergence, no longer require any knowledge of the context, and operate only on the raw state of the MDP. We aim to find a stochastic policy $\pi : { \mathcal { S } } , { \mathcal { A } } \to \mathbb { R } _ { + }$ under which the expected reward of the policy $\eta ( \pi ) = \operatorname { \mathbb { E } } _ { \tau \sim \pi } [ r ( \tau ) ]$ is maximized.
+
+# 4 DIVIDE-AND-CONQUER REINFORCEMENT LEARNING
+
+In this section, we derive our divide-and-conquer reinforcement learning algorithm. We first motivate the approach by describing a policy learning framework for the MDP with context described above, and then introduce a practical algorithm that can implement this framework for complex reinforcement learning problems.
+
+# 4.1 LEARNING POLICIES FOR MDPS WITH CONTEXT
+
+We consider two extensions of the MDP M that exploit this contextual structure. First, we define an augmented MDP $\mathbf { M } ^ { \prime }$ that augments each state with information about the context $( \boldsymbol { S } \times \Omega , \boldsymbol { A } , P , \boldsymbol { r } , \rho )$ ; a trajectory in this MDP is $\bar { \tau = } ( ( \omega , s _ { 0 } ) , a _ { 0 } , ( \omega , s _ { 1 } ) , a _ { 1 } , \ldots )$ . We also consider the class of contextrestricted MDPs: for a context $\omega$ , we have $\mathbf { M } _ { \omega } = ( S , A , P , r , \rho _ { \omega } )$ , where $\rho _ { \omega } ( s ) = \mathbb { P } ( s | \Omega = \omega )$ ; i.e. the context is always fixed to $\omega$ .
+
+A stochastic policy $\pi$ in the augmented MDP $\mathbf { M } ^ { \prime }$ decouples into a family of simpler stochastic policies $\pi = ( \pi _ { i } ) _ { i = 1 } ^ { n }$ , where $\pi _ { i } : { \mathcal { S } } , { \mathcal { A } } \to [ 0 , 1 ]$ , and $\pi _ { i } ( s , a ) = \pi ( ( \omega _ { i } , s ) , a )$ . We can consider $\pi _ { i }$ to be a policy for the context-restricted MDP $\mathbf { M } _ { \omega _ { i } }$ , resulting in an equivalence between optimal policies in augmented MDPs and context-restricted MDPs. A family of optimal policies in the class of context-restricted MDPs is an optimal policy $\pi$ in $\mathbf { M } ^ { \prime }$ .This implies that policy search in the augmented MDP reduces to policy search in the context-restricted MDPs.
+
+Given a stochastic policy in the augmented MDP $( \pi _ { i } ) _ { i = 1 } ^ { n }$ , we can induce a stochastic policy $\pi _ { c }$ in the original MDP, by defining $\begin{array} { r } { \pi _ { c } ( s , a ) = \sum _ { \omega \in \Omega } p ( \omega | s ) \overline { { \pi _ { \omega } } } ( s , a ) } \end{array}$ , where $p ( \cdot | s )$ is a belief distribution of what context the trajectory is in. From here on, we refer to $\pi _ { c }$ as the central or global policy, and $\pi _ { i }$ as the context-specific or local policies.
+
+Our insight is that it is important for each local policy to not only be good for its designated context, but also be capable of working in other contexts. Requiring that local policies be capable of working broadly allows for sharing of information so that local policies designated for difficult contexts can bootstrap their solutions off easier contexts. As discussed in the previous section, we seek a policy in the original MDP, and local policies that generalize well to many other contexts induce global policies that are capable of operating in the original MDP, where no context is provided.
+
+In order to find the optimal policy for the original MDP, we search for a policy $\pi = ( \pi _ { i } ) _ { i = 1 } ^ { n }$ in the augmented MDP that maximizes $\eta ( \pi ) - \alpha \mathbb { E } _ { \pi } [ D _ { K L } ( \pi \| \pi _ { c } ) ] :$ maximizing expected reward for each instance while remaining close to a central policy, where $\alpha$ is a penalty hyperparameter. This encourages the central policy $\pi _ { c }$ to work for all the contexts, thereby transferring to the original
+
+MDP. Using Jensen’s inequality to bound the KL divergence between $\pi$ and $\pi _ { c }$ , we minimize the right hand side of Equation 1 as a bound for minimizing the intractable KL divergence optimization problem.
+
+$$
+\mathbb { E } _ { \pi } [ D _ { K L } ( \pi \| \pi _ { c } ) ] \leq \sum _ { i , j } \rho ( \omega _ { i } ) \rho ( \omega _ { j } ) \mathbb { E } _ { \pi _ { i } } [ D _ { K L } ( \pi _ { i } \| \pi _ { j } ) ]
+$$
+
+Equation 1 shows that finding a set of local policies that translates well into a global policy reduces into minimizing a weighted sum of pairwise KL divergence terms between local policies.
+
+# 4.2 THE DIVIDE-AND-CONQUER REINFORCEMENT LEARNING ALGORITHM
+
+We now present a policy optimization algorithm that takes advantage of this contextual starting state, following the framework discussed in the previous section. Given an MDP with structured initial state variation, we add contextual information by inducing contexts from a partition of the initial state distribution. More precisely, for a partition of $\textstyle S = \bigcup _ { i = 1 } ^ { n } S _ { i }$ , we associate a context $\omega _ { i }$ to each set $S _ { i }$ , so that $\omega = \omega _ { i }$ when $s _ { 0 } \in S _ { i }$ . This partition of the initial state space is generated by sampling initial states from the MDP, and running an automated clustering procedure. We use $\mathbf { k }$ -means clustering in our evaluation, since we focus on tasks with highly stochastic and structured initial states, and recommend alternative procedures for tasks with more intricate stochasticity.
+
+Having retrieved contexts $( \omega _ { i } ) _ { i = 1 } ^ { n }$ , we search for a global policy $\pi _ { c }$ by learning local policies $( \pi _ { i } ) _ { i = 1 } ^ { n }$ that maximize expected reward in the individual contexts, while constrained to not diverge from one another. We modify policy gradient algorithms, which directly optimize the parameters of a stochastic policy through local gradient-based methods, to optimize the local policies with our constraints.
+
+In particular, we base our algorithm on trust region policy optimization, TRPO, (Schulman et al., 2015), a policy gradient method which takes gradient steps according to the surrogate loss ${ \mathcal { L } } ( \pi )$ in Equation 2 while constraining the mean divergence from the old policy by a fixed constant.
+
+$$
+{ \mathcal { L } } ( \pi ) = - \mathbb { E } _ { \pi _ { o l d } } \left[ A ( s , a ) { \frac { \pi ( a | s ) } { \pi _ { o l d } ( a | s ) } } \right]
+$$
+
+We choose TRPO for its practical performance on high-dimensional continuous control problems, but our procedure extends easily to other policy gradient methods (Kakade, 2002; Williams, 1992) as well.
+
+In our framework, we optimize $\eta ( \pi ) - \alpha \mathbb { E } _ { \pi } [ D _ { K L } ( \pi \| \pi _ { c } ) ]$ , where $\alpha$ determines the relative balancing effect of expected reward and divergence. We adapt the TRPO surrogate loss to this objective, and with the bound in Equation 1, the surrogate objective simplifies to
+
+$$
+\mathcal { L } ( \pi _ { 1 } \dots \pi _ { n } ) = - \sum _ { i = 1 } ^ { n } \mathbb { E } _ { \pi _ { i , o l d } } \left[ A ( s , a ) \frac { \pi _ { i } ( a | s ) } { \pi _ { i , o l d } ( a | s ) } \right] + \alpha \left( \sum _ { i , j } \rho ( \omega _ { i } ) \rho ( \omega _ { j } ) \mathbb { E } _ { \pi _ { i } } \left[ D _ { K L } ( \pi _ { i } | | \pi _ { j } ) \right] \right)
+$$
+
+The KL divergence penalties encourage each local policy $\pi _ { i }$ to be close to other local policies on its own context $\omega _ { i }$ , and to mimic the other local policies on other contexts. As with standard policy gradients, the objective for $\pi _ { i }$ uses trajectories from context $\omega _ { i }$ , but the constraint on other contexts adds additional dependencies on trajectories from all the other contexts $( \omega _ { j } ) _ { j \neq i }$ . Despite only taking actions in a restricted context, each local policy is trained with data from the full context distribution. In Equation 4, we consider the loss as a function of a single local policy $\pi _ { i }$ , which reveals the dependence on data from the full context distribution, and explicitly lists the pairwise KL divergence penalties.
+
+$$
+\Sigma ( \pi ) \propto _ { \pi _ { i } } \underbrace { - \mathbb { E } _ { \pi _ { i , o l d } } \left[ A ( s , a ) \frac { \pi _ { i } ( a | s ) } { \pi _ { i , o l d } ( a | s ) } \right] } _ { \mathrm { M a x i m i z e s ~ } \eta ( \pi _ { i } ) } + \alpha \rho ( \omega _ { i } ) \sum _ { j } \rho ( \omega _ { j } ) \left( \underbrace { \mathbb { E } _ { \pi _ { i } } [ D _ { K L } ( \pi _ { i } | | \pi _ { j } ) ] } _ { \mathrm { C o n s t r a i n t o n ~ o n e n t e x t } } + \underbrace { \mathbb { E } _ { \pi _ { j } } [ D _ { K L } ( \pi _ { j } | | \pi _ { i } ) ] } _ { \mathrm { C o n s t r a i n t o n ~ o n e r ~ c o n e x t } } \right)
+$$
+
+On each iteration, trajectories from each context-restricted MDP $\mathbf { M } _ { \omega _ { i } }$ are collected using $\pi _ { i }$ , and each local policy $\pi _ { i }$ takes a gradient step with the surrogate loss in succession. It should be noted that the cost of evaluating and optimizing the KL divergence penalties grows quadratically with the number of contexts, as the number of penalty terms is quadratic. For practical tasks however, the number of contexts will be on the order of 5-10, and the quadratic cost imposes minimal overhead for the TRPO conjugate gradient evaluation.
+
+After repeating the trajectory collection and policy optimization procedure for a fixed number of iterations, we seek to retrieve $\pi _ { c }$ , a central policy in the original task from the local policies trained via TRPO. As discussed in Section 4.1, this corresponds to minimizing the KL divergence between $\pi$ and $\pi _ { c }$ , which neatly simplifies into a maximum likelihood problem with samples from all the various policies.
+
+$$
+\mathcal { L } _ { c e n t e r } ( \pi _ { c } ) = \mathbb { E } _ { \pi } [ D _ { K L } ( \pi ( \cdot | s ) \| \pi _ { c } ( \cdot | s ) ) ] \propto \sum _ { i } \rho ( \omega _ { i } ) \mathbb { E } _ { \pi _ { i } } \left[ - \log \pi _ { c } ( s , a ) \right]
+$$
+
+If $\pi _ { c }$ performs inadequately on the full task, the local policy training procedure is repeated, initializing the local policies to start at $\pi _ { c }$ . We alternately optimize the local policies and the global policy in this manner, until convergence. The algorithm is laid out fully in pseudocode below.
+
+| R ←Distillation Period function DNC() |
| Sample initial states so from the task |
| Produce contexts W1, W2,...Wn by clustering initial states so |
| Randomly initialize central policy Tc |
| for t = 1,2... until convergence do |
| Setπi=πc foralli=1...n |
| for R iterations do |
| Collect trajectories Ti in context wi using policy πi for all i = 1...n for all local policies Ti do |
| Take gradient step in surrogate loss L wrt Ti |
| Minimize Lcenter W.r.t. πc using previously sampled states (Ti)=1 |
| return Tc |
+
+# 5 EXPERIMENTAL EVALUATION
+
+We focus our analysis on tasks spanning two different domains: manipulation and locomotion. Manipulation tasks involve handling an un-actuated object with a robotic arm, and locomotion tasks involve tackling challenging terrains. We illustrate a variety of behaviors in both settings. Standard continuous control benchmarks are known to represent relatively mild representational challenges (Rajeswaran et al., 2017b), and thus it was important to design new tasks that are more challenging in order to illustrate the potential of proposed approach. Tasks were designed to bring out complex contact rich behaviors in settings with considerable variation and diversity. All of our environments are designed and simulated in MuJoCo (Todorov et al., 2012).
+
+Our experiments and analysis aim to address the following questions:
+
+1. Can DnC solve highly complex tasks in a variety of domains, especially tasks that cannot be solved with current conventional policy gradient methods? 2. How does the form of the constraint on the ensemble policies in DnC affect the performance of the final policy, as compared to previously proposed constraints?
+
+We compare DnC to the following prior methods and ablated variants:
+
+• TRPO. TRPO (Schulman et al., 2015) represents a state-of-the-art policy gradient method, which we use for the standard RL comparison without decomposition into contexts. TRPO is provided with the same batch size as the sum of the batches over all of the policies in our algorithm, to ensure a fair comparison. Distral. Originally formulated as transfer learning in a discrete action space (Teh et al., 2017), we extend Distral to our stochastic initial state continuous control setting, where each context $\omega$ is a different task. For proper comparison between the algorithms, we port
+
+Distral to the TRPO objective, since empirically TRPO outperforms other policy gradient methods in this domain. This algorithm, which resembles the structure of guided policy search, also trains an ensemble of policies, but constrains them at each gradient step against a single global policy trained with supervised learning, and omits the distillation step that our method performs every $R$ iterations.
+
+• Unconstrained DnC. We run the DnC algorithm without any KL constraints. This reduces to running TRPO to train policies $( \pi _ { i } ) _ { i = 1 } ^ { n }$ on each context, and distilling the resulting local policies every $R$ iterations.
+
+• Centralized DnC. Whereas DnC doesn’t perform inference on context, centralized DnC uses an oracle to perfectly identify the context $\omega$ from the state $s$ . The resulting algorithm is equivalent to the Distral objective, but distills every $R$ steps.
+
+Performance of these methods is highly dependent on the choice of $\alpha$ , the penalty hyperparameter that controls how tightly to couple the local policies. For each task, we run a hyperparameter sweep for each method, showing results for the best penalty weight. Furthermore, performance of policy gradient methods like TRPO varies significantly from run to run, so we run each experiment with 5 random seeds, reporting mean statistics and standard deviations. The experimental procedure is detailed more extensively in Appendix A.
+
+For each evaluation task, we use a k-means clustering procedure to partition the initial state space into four contexts, which we found empirically to create stable partitions, and yield high performance across algorithms. We further detail the clustering procedure and examine the effect of partition size on DnC in Appendix C. The focus of our work is finding a single global policy that performs well on the full state space, but we further compare to oracle-based ensemble policies in Appendix D.
+
+# 6 ROBOTIC MANIPULATION
+
+For robotic manipulation, we simulate the Kinova Jaco, a 7 DoF robotic arm with 3 fingers. The agent receives full state information, which includes the current absolute location of external objects such as boxes. The agent uses low-level joint torque control to perform the required actions. Note that use of low-level torque control significantly increases complexity, as raw torque control on a 7 DoF arm requires delicate movements of the joints to perform each task. We describe the tasks below, and present full specifics in Appendix B.
+
+Picking. The Picking task requires the Jaco to pick up a small block and raise it as high as possible. The agent receives reward only when the block is in the agent’s hand. The starting position of the block is randomized within a fixed $3 0 \mathrm { c m }$ by $3 0 \mathrm { c m }$ square surface on the table. Picking up the block from different locations within the workspace require diverse poses, making this task challenging in the torque control framework. TRPO can only solve the picking task from a 4cm by 4cm workspace, and from wider configurations, the Jaco fails to grasp with a high success rate with policies learnt via TRPO.
+
+Lobbing. The Lobbing task requires the Jaco to flick a block into a target box, which is placed in a randomized location within a 1m by 1m square, far enough that the arm cannot reach it directly. This problem inherits many challenges from the picking task. Furthermore, the sequential nature of grasping and flicking necessitates that information pass temporally and requires synthesis of multiple skills.
+
+Catching. In the Catching task, a ball is thrown at the robot with randomized initial position and velocity, and the arm must catch it in the air. Fixed reward is awarded every step that the ball is in or next to the hand. This task is particularly challenging due the temporal sensitivity of the problem, since the end-effector needs to be in perfect sync with the flying object successfully finish the grasp. This extreme temporal dependency renders stochastic estimates of the gradients ineffective in guiding the learning.
+
+DnC exceeds the performance of the alternative methods on all of the manipulation tasks, as shown in Figure 1. For each task, we include the average reward, as well as a success rate measure, which provides a more interpretable impression of the performance of the final policy. TRPO by itself is unable to solve any of the tasks, with success rates below $10 \%$ in each case. The policies learned by
+
+
+Figure 1: Average return and success rate learning curves of the global policy on Picking, Lobbing, Catching, Ant, and Stairs when partitioned into 4 contexts. Metrics are evaluated each iteration on the global policy distilled from the current local policies at that iteration. On all of the tasks, DnC RL achieves the best results. On the Catching and Ant tasks, DnC performs comparably to the centralized variant, while on the Picking, Lobbing, and Stairs tasks, the full algorithm outperforms all others by a wide margin. All of the experiments are shown with 5 random seeds.
+
+ | Picker | Lobber | Catcher | Ant Position | Stairs |
| TRPO | 0.5± 0.2 | 23.5±1.2 | 6.6 ±1.3 | 23.7 ± 3.0 | 563.7 ± 61.2 |
| Distral | 23.0± 5.0 | 31.4 ± 0.7 | 36.9 ± 4.5 | 137.5 ± 1.5 | 616.0 ± 121.3 |
| Unconstrained | 16.9 ± 5.2 | 32.3 ± 0.8 | 40.2 ± 2.9 | 138.8 ± 4.2 | 1087.0 ± 196.8 |
| Centralized DnC (ours) | 37.2 ± 8.7 | 31.8 ± 0.5 | 46.6 ± 3.5 | 138.6 ± 4.4 | 1018.1 ± 207.1 |
| DnC (ours) | 55.3 ± 6.3 | 41.3 ± 0.4 | 48.9 ± 1.0 | 146.3 ± 1.3 | 1137.6 ± 71.5 |
+
+Table 1: Overall performance comparison between DnC and competing methods, based on final average return. Performance varies from run to run, so we run each experiment with five random seeds. For each of the tasks, the best performing method is $\mathrm { D n C }$ or centralized DnC.
+
+TRPO are qualitatively reasonable, but lack the intricate details required to address the variability of the task.
+
+TRPO fails because of the high stochasticity in the problem and the diversity of optimal behaviour for various initial states, because the algorithm cannot make progress on the full task with such noisy gradients. When we partition the manipulation tasks into contexts, the behavior within each context is much more homogeneous.
+
+Figure 1 shows that DnC outperforms both the adapted Distral variant and the two ablations of our method. On the picking task, DnC has a $16 \%$ higher success rate than the next best method, which is an ablated variant of DnC, and on the lobbing task, places the object three times closer to the goal as the other methods do. Both the pairwise KL penalty and the periodic reset in DnC appear to be crucial for the algorithm’s performance. In contrast to the methods that share information exclusively though a single global policy, the pairwise KL terms allow for more efficient information exchange. On the Picking task, the centralized variant of DnC struggles to pick up the object pockets along the boundaries of the contexts, likely because the local policies differ too much in these regions, and centralized distillation is insufficient to produce effective behavior.
+
+On the catching task (Figure 1c), the baselines which are distilled every 100 iterations (the DnC variants) all perform well, whereas Distral lags behind. The policy learned by Distral grasps the ball from an awkward orientation, so the grip is unstable and the ball quickly drops out. Since Distral does not distill and reset the local policies, it fails to escape this local optimal behaviour.
+
+# 7 LOCOMOTION
+
+Our locomotion tasks involve learning parameterized navigation skills in two domains.
+
+Ant Position In the Ant Position task, the quadruped ant is tasked with reaching a particular goal position; the exact goal position is randomly selected along the perimeter of a circle $5 \mathrm { m }$ in radius for each trajectory. The ant is penalized for its distance from the goal every timestep. Although moving the ant in a single direction is solved, training an ant to walk to an arbitrary point is difficult because the task is symmetric and the global gradients may be dampened by noise in several directions.
+
+Stairs In the Stairs task, a planar (2D) bipedal robot must climb a set of stairs, where the stairs have varying heights and lengths. The agent is rewarded for forward progress. Unlike the other tasks in this paper, there exists a single gait that can solve all possible heights, since a policy that can clear the highest stair can also clear lower stairs with no issues. However, optimal behavior that maximizes reward will maintain more specialized gaits for various heights. The agent locally observes the structure of the environment via a perception system that conveys the information about the height of the next step. This task is particularly interesting because it requires the agent to compose and maintain various gaits in an diverse environment with rich contact dynamics.
+
+As in manipulation, we find that DnC performs either on par or better than all of the alternative methods on each task. TRPO is able to solve the Ant task, but requires 400 million samples, whereas variants of our method solve the task in a tenth of the sample complexity. Initial behaviour of TRPO has the ant moving in random directions throughout a trajectory, unable to clearly associate movement in a direction with the goal reward. On the Stairs task, TRPO learns to take long striding gaits that perform well on shorter stairs but cause the agent to trip on the taller stairs, because the reward signal from the shorter stairs is much stronger. In DnC, by separating the gradient updates by context, we can mitigate the effect of a strong reward signal on a context from affecting the policies of the other contexts.
+
+We notice large differences between the gaits learned by the baselines and DnC on the Stairs task. DnC learns a striding gait on shorter stairs, and a jumping gait on taller stairs, but it is clearly visible that the two gaits share structure. In contrast, the other partitioning algorithms learn hopping motions that perform well on tall stairs, but are suboptimal on shorter stairs, so brittle to context.
+
+# 8 DISCUSSION AND FUTURE WORK
+
+In this paper, we proposed divide-and-conquer reinforcement learning, an RL algorithm that separates complex tasks into a set of local tasks, each of which can be used to learn a separate policy. These separate policies are constrained against one another to arrive at a single, globally coherent solution, which can then be used to solve the task from any initial state. Our experimental results show that divide-and-conquer reinforcement learning substantially outperforms standard RL algorithms that samples initial and goal states from their respective distributions at each trial, as well as previously proposed methods that employ ensembles of policies. For each of the domains in our experimental evaluation, standard policy gradient methods are generally unable to find a successful solution.
+
+Although our approach improves on the power of standard reinforcement learning methods, it does introduce additional complexity due to the need to train ensembles of policies. Sharing of information across the policies is accomplished by means of KL-divergence constraints, but no other explicit representation sharing is provided. A promising direction for future research is to both reduce the computational burden and improve representation sharing between trained policies with both shared and separate components. Exploring this direction could yield methods that are more efficient both computationally and in terms of experience.
+
+# ACKNOWLEDGEMENTS
+
+This research was supported by the National Science Foundation through IIS-1651843 and IIS1614653, an ONR Young Investigator Program award, and Berkeley DeepDrive.
+
+# REFERENCES
+
+Marcin Andrychowicz, Filip Wolski, Alex Ray, Jonas Schneider, Rachel Fong, Peter Welinder, Bob McGrew, Josh Tobin, Pieter Abbeel, and Wojciech Zaremba. Hindsight experience replay. CoRR, abs/1707.01495, 2017.
+
+Minoru Asada, Shoichi Noda, Sukoya Tawaratsumida, and Koh Hosoda. Purposive behavior acquisition for a real robot by vision-based reinforcement learning. Machine Learning, 1996.
+
+Greg Brockman, Vicki Cheung, Ludwig Pettersson, Jonas Schneider, John Schulman, Jie Tang, and Wojciech Zaremba. Openai gym, 2016.
+
+Assaf Hallak, Dotan Di Castro, and Shie Mannor. Contextual Markov Decision Processes. CoRR, abs/1502.02259, 2015.
+
+Nicolas Heess, Dhruva TB, Srinivasan Sriram, Jay Lemmon, Josh Merel, Greg Wayne, Yuval Tassa, Tom Erez, Ziyu Wang, S. M. Ali Eslami, Martin A. Riedmiller, and David Silver. Emergence of locomotion behaviours in rich environments. CoRR, abs/1707.02286, 2017.
+
+Sham M Kakade. A natural policy gradient. In NIPS, 2002.
+
+Andrej Karpathy and Michiel van de Panne. Curriculum Learning for Motor Skills, pp. 325–330. 2012.
+
+Jens Kober, Katharina Mulling, and Jan Peters. Learning throwing and catching skills. In ¨ IROS, 2012.
+
+Vikash Kumar, Emanuel Todorov, and Sergey Levine. Optimal control with learned local models: Application to dexterous manipulation. In ICRA, 2016.
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+Sergey Levine and Vladlen Koltun. Guided policy search. In ICML, 2013.
+
+Sergey Levine, Chelsea Finn, Trevor Darrell, and Pieter Abbeel. End-to-end learning of deep visuomotor policies. Journal of Machine Learning Research (JMLR), 2016.
+
+Volodymyr Mnih, Koray Kavukcuoglu, David Silver, Alex Graves, Ioannis Antonoglou, Daan Wierstra, and Martin Riedmiller. Playing atari with deep reinforcement learning. arXiv preprint arXiv:1312.5602, 2013.
+
+Volodymyr Mnih, Koray Kavukcuoglu, David Silver, Andrei A Rusu, Joel Veness, Marc G Bellemare, Alex Graves, Martin Riedmiller, Andreas K Fidjeland, Georg Ostrovski, et al. Human-level control through deep reinforcement learning. Nature, 518(7540):529–533, 2015.
+
+Igor Mordatch and Emanuel Todorov. Combining the benefits of function approximation and trajectory optimization. In RSS, 2014.
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+Igor Mordatch, Kendall Lowrey, Galen Andrew, Zoran Popovic, and Emanuel Todorov. Interactive Control of Diverse Complex Characters with Neural Networks. In NIPS, 2015.
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+Ashvin Nair, Bob McGrew, Marcin Andrychowicz, Wojciech Zaremba, and Pieter Abbeel. Overcoming exploration in reinforcement learning with demonstrations. CoRR, abs/1709.10089, 2017.
+
+Takayuki Osa, Jan Peters, and Gerhard Neumann. Experiments with hierarchical reinforcement learning of multiple grasping policies. In ISER, 2016.
+
+Ivaylo Popov, Nicolas Heess, Timothy P. Lillicrap, Roland Hafner, Gabriel Barth-Maron, Matej Vecerik, Thomas Lampe, Yuval Tassa, Tom Erez, and Martin A. Riedmiller. Data-efficient deep reinforcement learning for dexterous manipulation. CoRR, abs/1704.03073, 2017.
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+Aravind Rajeswaran, Vikash Kumar, Abhishek Gupta, John Schulman, Emanuel Todorov, and Sergey Levine. Learning complex dexterous manipulation with deep reinforcement learning and demonstrations. CoRR, abs/1709.10087, 2017a.
+
+Aravind Rajeswaran, Kendall Lowrey, Emanuel Todorov, and Sham Kakade. Towards Generalization and Simplicity in Continuous Control. In NIPS, 2017b.
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+John Schulman, Sergey Levine, Philipp Moritz, Michael Jordan, and Pieter Abbeel. Trust region policy optimization. In ICML, 2015.
+
+Yee Whye Teh, Victor Bapst, Wojciech Marian Czarnecki, John Quan, James Kirkpatrick, Raia Hadsell, Nicolas Heess, and Razvan Pascanu. Distral: Robust multitask reinforcement learning. In NIPS, 2017.
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+Emanuel Todorov, Tom Erez, and Yuval Tassa. Mujoco: A physics engine for model-based control. In IROS, 2012.
+
+Ronald J. Williams. Simple statistical gradient-following algorithms for connectionist reinforcement learning. Machine Learning, 8(3):229–256, 1992.
+
+# A EXPERIMENTAL DETAILS
+
+To ensure consistency, all the methods tested are implemented on the TRPO objective function, allowing for comparisons between the various types of constraint. In particular, the Distral algorithm is ported from a soft Q-learning setting to TRPO. TRPO was chosen as it outperforms other policy gradient methods on challenging continuous control tasks. To properly compare TRPO to the partition-based methods for sample efficiency, we increase the number of timesteps of simulation used per policy update for TRPO. Explicitly, if $B$ is the number of timesteps simulated used for a single local policy iteration in $\mathrm { D n C }$ , and $N$ the number of local policies, then we use $B * N$ timesteps for each policy iteration in TRPO.
+
+Stochastic policies are parametrized as $\pi _ { \boldsymbol { \theta } } ( a | s ) \sim \mathcal { N } ( \mu _ { \boldsymbol { \theta } } ( s ) , \Sigma _ { \boldsymbol { \theta } } )$ . The mean, $\mu _ { \theta } ( \cdot )$ , is a fullyconnected neural network with 3 hidden layers containing 150, 100, and 50 units respectively. $\Sigma$ is a learned diagonal covariance matrix, and is initially set to $\Sigma = I$ .
+
+The primary hyperparameters of concern are the TRPO learning rate $\bar { D } _ { K L }$ and the penalty $\alpha$ . The TRPO learning rate is global to the task; for each task, to find an appropriate learning rate, we ran TRPO with five learning rates $\{ . 0 0 2 5 , . 0 0 5 , . 0 1 , . 0 2 , . 0 4 \}$ . The penalty parameter is not shared across the methods, since a fixed penalty might yield different magnitudes of constraint for each method. We ran DnC, Centralized DnC, and Distral with five penalty parameters on each task. The penalty parameter with the highest final reward was selected for each algorithm on each task. Because of variance of performance between runs, each experiment was replicated with five random seeds, reporting average and SD statistics.
+
+ | Picker | Lobber | Catcher | Ant Position | Stairs |
| State Space Dimension | 34 | 40 | 34 | 146 | 41 |
| Action Space Dimension | 7 | 7 | 7 | 8 | 6 |
| # Steps per Local Iteration | 30000 | 30000 | 30000 | 50000 | 50000 |
| # Iterations | 1000 | 1000 | 750 | 750 | 1000 |
| Distillation Period | 100 | 100 | 100 | 50 | 100 |
| Learning Rate | .01 | .02 | .02 | .01 | .02 |
+
+# B TASK DESCRIPTIONS
+
+All the tasks in this work have the agent operate via low-level joint torque control. For Jaco-related tasks, the action space is 7 dimensional, and the control frequency is $2 0 \mathrm { H z }$ . For target-based tasks, instead of using the true distance to the target, we normalize the distance so the initial distance to the target is 1.
+
+Picking The observation space includes the box position, box velocity, and end-effector position. On each trajectory, the box is placed in an arbitrary location within a $3 0 \mathrm { c m }$ by $3 0 \mathrm { c m }$ square surface of the table.
+
+$$
+R ( s ) = \mathbf { 1 } \{ \mathrm { B o x ~ i n ~ a i r ~ a n d ~ B o x ~ w i t h i n ~ 8 c m ~ o f ~ J a c o ~ e n d - e f f e c t o r } \}
+$$
+
+Lobbing. The observation space includes the box position,box velocity, end-effector position, and target position. On each trajectory, the target location is randomized over a 1m by 1m square.
+
+An episode runs until the box is lobbed and lands on the ground. Reward is received only on the final step of the episode when the lobbed box lands; reward is proportional to the box’s time in air, $t _ { a i r }$ , and the box’s normalized distance to target, $d _ { t a r g e t } ^ { \prime }$ .
+
+$$
+R ( s ) = t _ { a i r } + 4 0 \operatorname* { m a x } ( 0 , 1 - d _ { t a r g e t } ^ { \prime } )
+$$
+
+Catching. The observation space includes the ball position, ball velocity, and end-effector position. On each trajectory, both the ball position and velocity are randomized, while ensuring the ball is still “catchable”.
+
+$$
+R ( s ) = \mathbf { 1 } \{ \mathrm { B a l l ~ i n ~ a i r ~ a n d ~ B a l l ~ w i t h i n ~ \& m ~ o f ~ J a c o ~ e n d - e f f e c t o r } \}
+$$
+
+Ant Position. The target location of the ant is chosen randomly on a circle with radius $5 \mathrm { m }$ .
+
+The reward function takes into account the normalized distance of the ant to target, $d _ { t a r g e t } ^ { \prime }$ , and as with the standard quadruped, the magnitude of torque, $\| a \|$ , and the magnitude of contact force, $\| c \|$ .
+
+$$
+R ( s , a ) = 1 - d _ { t a r g e t } ^ { \prime } - 0 . 0 1 \| a \| - 0 . 0 0 1 \| c \|
+$$
+
+Stairs. The planar bipedal robot has a perception system which is used to communicate the local terrain. The height of the platforms are given at 25 points evenly spaced from 0.5 meters behind the robot to 1 meters in front. On each trajectory, the heights of stairs are randomized between $5 \mathrm { c m }$ and $2 5 \mathrm { { c m } }$ , and lengths randomized between $5 0 \mathrm { c m }$ and $6 0 \mathrm { c m }$ . The reward weighs the forward velocity $v _ { x }$ , and the torque magnitude $\| a \|$ .
+
+$$
+R ( s , a ) = v _ { x } - 0 . 5 \| a \| + 0 . 0 1
+$$
+
+# C AUTOMATED PARTITIONING
+
+In this section, we detail the procedure used to partition the initial state space into contexts, and examine performance of $\scriptstyle \mathrm { D n C }$ as the number of contexts is varied. 10000 initial states are sampled from the task, and are fed through a $K$ -means clustering procedure to produce $k$ cluster centers $( c _ { i } ) _ { i = 1 } ^ { k }$ . We assign initial states to the context with the closest center:
+
+$$
+\omega _ { i } = \arg \operatorname* { m i n } _ { i } \| c _ { i } - s _ { 0 } \| ^ { 2 }
+$$
+
+The $\mathbf { k }$ -means procedure is sensitive to the relative scaling of the state, but we found empirically that the clustering procedure yielded sane partitions on all the benchmark tasks. We examine the performance of DnC with this partitioning scheme when split into two,four, and eight contexts respectively, and for comparison, we also include a manually labelled partition. The manual partition into four contexts is a grid decomposition along the axes of stochasticity. To ensure a fair comparison, the sample complexity is kept constant across variants: when run with two contexts, each local policy consumes twice the number of samples as when run with four contexts.
+
+ | Picker | Lobber | Catcher | Ant Position | Stairs |
| 2 Contexts | 14.7± 2.2 | 42.0 ± 0.7 | 39.2 ± 9.4 | 145.2 ± 1.5 | 1040.8 ± 44.2 |
| 4 Contexts | 55.3± 6.3 | 41.3 ± 0.4 | 48.9 ± 1.0 | 146.3 ± 1.3 | 1137.6 ± 71.5 |
| 4 Contexts (Manual) | 44.5 ± 6.8 | 42.2 ± 0.7 | 35.8 ± 4.1 | 81.7 ± 1.8 | 1218.2 ± 27.8 |
| 8 Contexts | 51.0 ± 4.3 | 40.6 ± 0.6 | 43.8 ± 3.7 | 133.4 ± 3.3 | 1084.9 ± 41.0 |
+
+On all the tasks, running DnC with four contexts is either the best performing method, or closely matches the best performing method. This indicates a balance between representation sharing within a context, and the benefit from optimizing over small contexts. When run with two contexts, the contexts being optimized over are relatively large, and thus face many of the same issues as TRPO in extracting a signal from a noisy gradient, perhaps best seen in the Picking task. The performance increase from TRPO to two-context DnC however seems to indicate that the distillation and reset of local policies prevents the learning algorithm from being stuck in local optima. When run with eight tasks, we notice a representation sharing issue, since even between very similar initial states, information can only be shared through the KL constraint, which is a bottleneck. This analysis indicates that the choice of the number of clusters is a trade-off between having large enough contexts to share information freely between similar states, and having small enough states to overcome the noise in the policy gradient signal.
+
+
+
+# D ORACLE-BASED ABLATIONS
+
+Whereas DnC maintains a global policy to run on all contexts, we consider in this section ablations whose final output is an ensemble of local policies, choosing the appropriate policy on each trajectory via oracle.
+
+Final Local Policies We run the DnC algorithm, and return the ensemble of final local policies instead of the resulting global policy. This method is expected to outperform DnC, since the global policy should be strictly worse than the local ensemble. However, as seen in the table below, the gap in performance is low for the majority of tasks, showing that minimal information is lost in transferring from the ensemble of local policies to the global policy.
+
+ | Picker | Lobber | Catcher | Ant Position | Stairs |
| Final Global Policy (DnC) | 55.3 ± 6.3 | 41.3 ± 0.4 | 48.9 ±1.0 | 146.3 ± 1.3 | 1137.6 ± 71.5 |
| Final Local Policies | 56.6 ± 6.4 | 41.2 ± 0.4 | 50.2±0.7 | 146.6 ± 0.5 | 1170.0 ± 68.4 |
+
+No Distillation We run the DnC algorithm, discarding the distillation step every $R$ iterations. This is equivalent to training local policies with pairwise KL constraints till convergence, and considering the resulting ensemble of local policies. We notice that DnC significantly outperforms the variant without distillation on three of the tasks, and has equivalent performance on the other two. We hypothesize this is because the local policies often become trapped in local minima, and the distillation step helps adjust the policy out of the optima. This is consistent with observations in previous work involving trajectory optimization (Mordatch et al., 2015), where adding a central neural network to which trajectories were distilled significantly increased performance.
+
+ | Picker | Lobber | Catcher | Ant Position | Stairs |
| Distillation (DnC) | 55.3 ± 6.3 | 41.3 ± 0.4 | 48.9 ± 1.0 | 146.3 ± 1.3 | 1137.6 ± 71.5 |
| No Distillation | 30.2±6.8 | 40.6 ± 1.0 | 20.3±2.7 | 69.8 ± 1.4 | 919.5 ± 28.2 |
\ No newline at end of file
diff --git a/parse/train/rJwelMbR-/rJwelMbR-_content_list.json b/parse/train/rJwelMbR-/rJwelMbR-_content_list.json
new file mode 100644
index 0000000000000000000000000000000000000000..1b3bfa2d95688034effe09ac375373842a834164
--- /dev/null
+++ b/parse/train/rJwelMbR-/rJwelMbR-_content_list.json
@@ -0,0 +1,1617 @@
+[
+ {
+ "type": "text",
+ "text": "DIVIDE-AND-CONQUER REINFORCEMENT LEARNING ",
+ "text_level": 1,
+ "bbox": [
+ 176,
+ 98,
+ 816,
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+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "Dibya Ghosh1, Avi Singh1, Aravind Rajeswaran2, Vikash Kumar2, Sergey Levine1 ",
+ "bbox": [
+ 181,
+ 146,
+ 787,
+ 162
+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "1 University of California Berkeley 2 University of Washington Seattle dibya@berkeley.edu, avisingh@cs.berkeley.edu, {aravraj, vikash}@cs.washington.edu, svlevine@eecs.berkeley.edu ",
+ "bbox": [
+ 179,
+ 167,
+ 799,
+ 223
+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "ABSTRACT ",
+ "text_level": 1,
+ "bbox": [
+ 454,
+ 260,
+ 544,
+ 275
+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "Standard model-free deep reinforcement learning (RL) algorithms sample a new initial state for each trial, allowing them to optimize policies that can perform well even in highly stochastic environments. However, problems that exhibit considerable initial state variation typically produce high-variance gradient estimates for model-free RL, making direct policy or value function optimization challenging. In this paper, we develop a novel algorithm that instead partitions the initial state space into “slices”, and optimizes an ensemble of policies, each on a different slice. The ensemble is gradually unified into a single policy that can succeed on the whole state space. This approach, which we term divide-and-conquer $R L$ , is able to solve complex tasks where conventional deep RL methods are ineffective. Our results show that divide-and-conquer RL greatly outperforms conventional policy gradient methods on challenging grasping, manipulation, and locomotion tasks, and exceeds the performance of a variety of prior methods. Videos of policies learned by our algorithm can be viewed at https://sites.google.com/view/dnc-rl/. ",
+ "bbox": [
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+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "1 INTRODUCTION ",
+ "text_level": 1,
+ "bbox": [
+ 176,
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+ 336,
+ 542
+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "Deep reinforcement learning (RL) algorithms have demonstrated an impressive potential for tackling a wide range of complex tasks, from game playing (Mnih et al., 2015) to robotic manipulation (Levine et al., 2016; Kumar et al., 2016; Popov et al., 2017; Andrychowicz et al., 2017). However, many of the standard benchmark tasks in reinforcement learning, including the Atari benchmark suite (Mnih et al., 2013) and all of the OpenAI gym continuous control benchmarks (Brockman et al., 2016) lack the kind of diversity that is present in realistic environments. ",
+ "bbox": [
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+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "One of the most compelling use cases for RL algorithms is to create autonomous agents that can interact intelligently with diverse stochastic environments. However, such environments present a major challenge for current RL algorithms. Environments which require a lot of diversity can be expressed in the framework of RL as having a “wide” stochastic initial state distribution for the underlying Markov decision process. Highly stochastic initial state distributions lead to highvariance policy gradient estimates, which in turn hamper effective learning. Similarly, diversity and variability can also be incorporated by picking a wide distribution over goals. ",
+ "bbox": [
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+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "In this paper, we explore RL algorithms that are especially well-suited for tasks with a high degree of variability in both initial and goal states. We argue that a large class of practically interesting real-world problems fall into this category, but current RL algorithms are poorly equipped to handle them, as illustrated in our experimental evaluation. Our main observation is that, for tasks with a high degree of initial state variability, it is often much easier to obtain effective solutions to individual parts of the initial state space and then merge these solutions into a single policy, than to solve the entire task as a monolithic stochastic MDP. To that end, we can autonomously partition the state distribution into a set of distinct “slices,” and train a separate policy for each slice. For example, if we imagine the task of picking up a block with a robotic arm, different slices might correspond to different initial positions of the block. Similarly, for placing the block, different slices will correspond to the different goal positions. For each slice, the algorithm might train a different policy with a distinct strategy. As the training proceeds, we can gradually merge the distinct policies into a single global policy that succeeds in the entire space, by employing a combination of mutual KL-divergence constraints and supervised distillation. ",
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+ "text": "It may at first seem surprising that this procedure provides benefit. After all, if the final global policy can solve the entire task, then surely each local policy also has the representational capacity to capture a strategy that is effective on the entire initial state space. However, it is worth considering that a policy in a reinforcement learning algorithm must be able to represent not only the final optimal policy, but also all of the intermediate policies during learning. By decomposing these intermediate policies over the different slices of the initial state space, our method enables effective learning even on tasks with very diverse initial state and goal distributions. Since variation in the initial state distribution leads to high variance gradient estimates, this strategy also benefits from the fact that gradients can be better estimated in the local slices leading to accelerated learning. Intermediate supervised distillation steps help share information between the local policies which accelerates learning for slow learning policies, and helps policies avoid local optima. ",
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+ "text": "The main contribution of this paper is a reinforcement learning algorithm specifically designed for tasks with a high degree of diversity and variability. We term this approach as divide-and-conquer (DnC) reinforcement learning. Detailed empirical evaluation on a variety of difficult robotic manipulation and locomotion scenarios reveals that the proposed DnC algorithm substantially improves the performance over prior techniques. ",
+ "bbox": [
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+ {
+ "type": "text",
+ "text": "2 RELATED WORK ",
+ "text_level": 1,
+ "bbox": [
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+ "page_idx": 1
+ },
+ {
+ "type": "text",
+ "text": "Prior work has addressed reinforcement learning tasks requiring diverse behaviors, both in locomotion (Heess et al., 2017) and manipulation (Osa et al., 2016; Kober et al., 2012; Andrychowicz et al., 2017; Nair et al., 2017; Rajeswaran et al., 2017a). However, these methods typically make a number of simplifications, such as the use of demonstrations to help guide reinforcement learning (Osa et al., 2016; Kober et al., 2012; Nair et al., 2017; Rajeswaran et al., 2017a), or the use of a higher-level action representation, such as Cartesian end-effector control for a robotic arm (Osa et al., 2016; Kober et al., 2012; Andrychowicz et al., 2017; Nair et al., 2017). We show that the proposed DnC approach can solve manipulation tasks such as grasping and catching directly in the low-level torque action space without the need for demonstrations or a high-level action representation. ",
+ "bbox": [
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+ "type": "text",
+ "text": "The selection of benchmark tasks in this work is significantly more complex than those leveraging Cartesian position action spaces in prior work (Andrychowicz et al., 2017; Nair et al., 2017) or the relatively simple picking setup proposed by Popov et al. (2017), which consists of minimal task variation and a variety of additional shaping rewards. In the domain of locomotion, we show that our approach substantially outperforms the direct policy search method proposed by Heess et al. (2017). Curriculum learning has been applied to similar problems in reinforcement learning, with approaches that require the practitioner to design a sequence of progressively harder subsets of the initial state distribution, culminating in the original task (Asada et al., 1996; Karpathy & van de Panne, 2012). Our method allows for arbitrary decompositions, and we further show that DnC can work with automatically generated decompositions without human intervention. ",
+ "bbox": [
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+ "type": "text",
+ "text": "Our method is related to guided policy search (GPS) algorithms (Levine & Koltun, 2013; Mordatch & Todorov, 2014; Levine et al., 2016). These algorithms train several “local” policies by using a trajectory-centric reinforcement learning method, and a single “global” policy, typically represented by a deep neural network, which attempts to mimic the local policies. The local policies are constrained to the global policy, typically via a KL-divergence constraint. Our method also trains local policies, though the local policies are themselves represented by more flexible, nonlinear neural network policies. Use of neural network policies significantly improves the representational power of the individual controllers and facilitates the use of various off-the-shelf reinforcement learning algorithms. Furthermore, we constrain the various policies to one another, rather than to a single central policy, which we find substantially improves performance, as discussed in Section 5. ",
+ "bbox": [
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+ "type": "text",
+ "text": "Along similar lines, Teh et al. (2017) propose an approach similar to GPS for the purpose of transfer learning, where a single policy is trained to mimic the behavior of policies trained in specific domains. Our approach resembles GPS, in that we decompose a single complex task into local pieces, but also resembles Teh et al. (2017), in that we use nonlinear neural network local policies. Although Teh et al. (2017) propose a method intended for transfer learning, it can be adapted to the setting of stochastic initial states for comparison. We present results demonstrating that our approach substantially outperforms the method of Teh et al. (2017) in this setting. ",
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+ "type": "text",
+ "text": "3 PRELIMINARIES ",
+ "text_level": 1,
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+ "text": "An episodic Markov decision process (MDP) is defined as $\\mathbf { M } = ( S , \\mathcal { A } , P , r , \\rho )$ where $s , A$ are continuous sets of states and actions respectively. $P ( s ^ { \\prime } , s , a )$ is the transition probability distribution, $r : { \\mathcal { S } } \\mathbb { R }$ is the reward function, and $\\rho : S \\to \\mathbb { R } _ { + }$ is the initial state distribution. We consider a modified MDP formulation, where the initial state distribution is conditioned on some variable $\\omega$ , which we refer to as a “context.” Formally, $\\Omega = ( \\omega _ { i } ) _ { i = 1 } ^ { n }$ is a finite set of contexts, and $\\rho : \\Omega \\times S $ $\\mathbb { R } _ { + }$ is a joint distribution over contexts $\\omega$ and initial states $s _ { 0 }$ . One can imagine that sampling initial states is a two stage process: first, contexts are sampled as $\\rho ( \\omega )$ , and then initial states are drawn given the sampled context as $\\rho ( s | \\omega )$ . Note that this formulation of a MDP with context is unrelated to the similarly named “contextual MDPs” (Hallak et al., 2015). ",
+ "bbox": [
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+ "type": "text",
+ "text": "For an arbitrary MDP, one can embed the context into the state as an additional state variable with independent distribution structure that factorizes as $P ( s _ { 0 } , \\omega ) = P ( s _ { 0 } | \\omega ) P ( \\omega )$ . The context will provide us with a convenient mechanism to solve complex tasks, but we will describe how we can still train policies that, at convergence, no longer require any knowledge of the context, and operate only on the raw state of the MDP. We aim to find a stochastic policy $\\pi : { \\mathcal { S } } , { \\mathcal { A } } \\to \\mathbb { R } _ { + }$ under which the expected reward of the policy $\\eta ( \\pi ) = \\operatorname { \\mathbb { E } } _ { \\tau \\sim \\pi } [ r ( \\tau ) ]$ is maximized. ",
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+ "type": "text",
+ "text": "4 DIVIDE-AND-CONQUER REINFORCEMENT LEARNING ",
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+ "type": "text",
+ "text": "In this section, we derive our divide-and-conquer reinforcement learning algorithm. We first motivate the approach by describing a policy learning framework for the MDP with context described above, and then introduce a practical algorithm that can implement this framework for complex reinforcement learning problems. ",
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+ "text": "4.1 LEARNING POLICIES FOR MDPS WITH CONTEXT ",
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+ "text": "We consider two extensions of the MDP M that exploit this contextual structure. First, we define an augmented MDP $\\mathbf { M } ^ { \\prime }$ that augments each state with information about the context $( \\boldsymbol { S } \\times \\Omega , \\boldsymbol { A } , P , \\boldsymbol { r } , \\rho )$ ; a trajectory in this MDP is $\\bar { \\tau = } ( ( \\omega , s _ { 0 } ) , a _ { 0 } , ( \\omega , s _ { 1 } ) , a _ { 1 } , \\ldots )$ . We also consider the class of contextrestricted MDPs: for a context $\\omega$ , we have $\\mathbf { M } _ { \\omega } = ( S , A , P , r , \\rho _ { \\omega } )$ , where $\\rho _ { \\omega } ( s ) = \\mathbb { P } ( s | \\Omega = \\omega )$ ; i.e. the context is always fixed to $\\omega$ . ",
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+ "text": "A stochastic policy $\\pi$ in the augmented MDP $\\mathbf { M } ^ { \\prime }$ decouples into a family of simpler stochastic policies $\\pi = ( \\pi _ { i } ) _ { i = 1 } ^ { n }$ , where $\\pi _ { i } : { \\mathcal { S } } , { \\mathcal { A } } \\to [ 0 , 1 ]$ , and $\\pi _ { i } ( s , a ) = \\pi ( ( \\omega _ { i } , s ) , a )$ . We can consider $\\pi _ { i }$ to be a policy for the context-restricted MDP $\\mathbf { M } _ { \\omega _ { i } }$ , resulting in an equivalence between optimal policies in augmented MDPs and context-restricted MDPs. A family of optimal policies in the class of context-restricted MDPs is an optimal policy $\\pi$ in $\\mathbf { M } ^ { \\prime }$ .This implies that policy search in the augmented MDP reduces to policy search in the context-restricted MDPs. ",
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+ "text": "Given a stochastic policy in the augmented MDP $( \\pi _ { i } ) _ { i = 1 } ^ { n }$ , we can induce a stochastic policy $\\pi _ { c }$ in the original MDP, by defining $\\begin{array} { r } { \\pi _ { c } ( s , a ) = \\sum _ { \\omega \\in \\Omega } p ( \\omega | s ) \\overline { { \\pi _ { \\omega } } } ( s , a ) } \\end{array}$ , where $p ( \\cdot | s )$ is a belief distribution of what context the trajectory is in. From here on, we refer to $\\pi _ { c }$ as the central or global policy, and $\\pi _ { i }$ as the context-specific or local policies. ",
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+ "text": "Our insight is that it is important for each local policy to not only be good for its designated context, but also be capable of working in other contexts. Requiring that local policies be capable of working broadly allows for sharing of information so that local policies designated for difficult contexts can bootstrap their solutions off easier contexts. As discussed in the previous section, we seek a policy in the original MDP, and local policies that generalize well to many other contexts induce global policies that are capable of operating in the original MDP, where no context is provided. ",
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+ "text": "In order to find the optimal policy for the original MDP, we search for a policy $\\pi = ( \\pi _ { i } ) _ { i = 1 } ^ { n }$ in the augmented MDP that maximizes $\\eta ( \\pi ) - \\alpha \\mathbb { E } _ { \\pi } [ D _ { K L } ( \\pi \\| \\pi _ { c } ) ] :$ maximizing expected reward for each instance while remaining close to a central policy, where $\\alpha$ is a penalty hyperparameter. This encourages the central policy $\\pi _ { c }$ to work for all the contexts, thereby transferring to the original ",
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+ "text": "MDP. Using Jensen’s inequality to bound the KL divergence between $\\pi$ and $\\pi _ { c }$ , we minimize the right hand side of Equation 1 as a bound for minimizing the intractable KL divergence optimization problem. ",
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+ "text": "$$\n\\mathbb { E } _ { \\pi } [ D _ { K L } ( \\pi \\| \\pi _ { c } ) ] \\leq \\sum _ { i , j } \\rho ( \\omega _ { i } ) \\rho ( \\omega _ { j } ) \\mathbb { E } _ { \\pi _ { i } } [ D _ { K L } ( \\pi _ { i } \\| \\pi _ { j } ) ]\n$$",
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+ "text": "Equation 1 shows that finding a set of local policies that translates well into a global policy reduces into minimizing a weighted sum of pairwise KL divergence terms between local policies. ",
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+ "text": "4.2 THE DIVIDE-AND-CONQUER REINFORCEMENT LEARNING ALGORITHM ",
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+ "text": "We now present a policy optimization algorithm that takes advantage of this contextual starting state, following the framework discussed in the previous section. Given an MDP with structured initial state variation, we add contextual information by inducing contexts from a partition of the initial state distribution. More precisely, for a partition of $\\textstyle S = \\bigcup _ { i = 1 } ^ { n } S _ { i }$ , we associate a context $\\omega _ { i }$ to each set $S _ { i }$ , so that $\\omega = \\omega _ { i }$ when $s _ { 0 } \\in S _ { i }$ . This partition of the initial state space is generated by sampling initial states from the MDP, and running an automated clustering procedure. We use $\\mathbf { k }$ -means clustering in our evaluation, since we focus on tasks with highly stochastic and structured initial states, and recommend alternative procedures for tasks with more intricate stochasticity. ",
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+ "text": "Having retrieved contexts $( \\omega _ { i } ) _ { i = 1 } ^ { n }$ , we search for a global policy $\\pi _ { c }$ by learning local policies $( \\pi _ { i } ) _ { i = 1 } ^ { n }$ that maximize expected reward in the individual contexts, while constrained to not diverge from one another. We modify policy gradient algorithms, which directly optimize the parameters of a stochastic policy through local gradient-based methods, to optimize the local policies with our constraints. ",
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+ "text": "In particular, we base our algorithm on trust region policy optimization, TRPO, (Schulman et al., 2015), a policy gradient method which takes gradient steps according to the surrogate loss ${ \\mathcal { L } } ( \\pi )$ in Equation 2 while constraining the mean divergence from the old policy by a fixed constant. ",
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+ "text": "$$\n{ \\mathcal { L } } ( \\pi ) = - \\mathbb { E } _ { \\pi _ { o l d } } \\left[ A ( s , a ) { \\frac { \\pi ( a | s ) } { \\pi _ { o l d } ( a | s ) } } \\right]\n$$",
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+ "text": "We choose TRPO for its practical performance on high-dimensional continuous control problems, but our procedure extends easily to other policy gradient methods (Kakade, 2002; Williams, 1992) as well. ",
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+ "text": "In our framework, we optimize $\\eta ( \\pi ) - \\alpha \\mathbb { E } _ { \\pi } [ D _ { K L } ( \\pi \\| \\pi _ { c } ) ]$ , where $\\alpha$ determines the relative balancing effect of expected reward and divergence. We adapt the TRPO surrogate loss to this objective, and with the bound in Equation 1, the surrogate objective simplifies to ",
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+ "text": "$$\n\\mathcal { L } ( \\pi _ { 1 } \\dots \\pi _ { n } ) = - \\sum _ { i = 1 } ^ { n } \\mathbb { E } _ { \\pi _ { i , o l d } } \\left[ A ( s , a ) \\frac { \\pi _ { i } ( a | s ) } { \\pi _ { i , o l d } ( a | s ) } \\right] + \\alpha \\left( \\sum _ { i , j } \\rho ( \\omega _ { i } ) \\rho ( \\omega _ { j } ) \\mathbb { E } _ { \\pi _ { i } } \\left[ D _ { K L } ( \\pi _ { i } | | \\pi _ { j } ) \\right] \\right)\n$$",
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+ "text": "The KL divergence penalties encourage each local policy $\\pi _ { i }$ to be close to other local policies on its own context $\\omega _ { i }$ , and to mimic the other local policies on other contexts. As with standard policy gradients, the objective for $\\pi _ { i }$ uses trajectories from context $\\omega _ { i }$ , but the constraint on other contexts adds additional dependencies on trajectories from all the other contexts $( \\omega _ { j } ) _ { j \\neq i }$ . Despite only taking actions in a restricted context, each local policy is trained with data from the full context distribution. In Equation 4, we consider the loss as a function of a single local policy $\\pi _ { i }$ , which reveals the dependence on data from the full context distribution, and explicitly lists the pairwise KL divergence penalties. ",
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+ "text": "$$\n\\Sigma ( \\pi ) \\propto _ { \\pi _ { i } } \\underbrace { - \\mathbb { E } _ { \\pi _ { i , o l d } } \\left[ A ( s , a ) \\frac { \\pi _ { i } ( a | s ) } { \\pi _ { i , o l d } ( a | s ) } \\right] } _ { \\mathrm { M a x i m i z e s ~ } \\eta ( \\pi _ { i } ) } + \\alpha \\rho ( \\omega _ { i } ) \\sum _ { j } \\rho ( \\omega _ { j } ) \\left( \\underbrace { \\mathbb { E } _ { \\pi _ { i } } [ D _ { K L } ( \\pi _ { i } | | \\pi _ { j } ) ] } _ { \\mathrm { C o n s t r a i n t o n ~ o n e n t e x t } } + \\underbrace { \\mathbb { E } _ { \\pi _ { j } } [ D _ { K L } ( \\pi _ { j } | | \\pi _ { i } ) ] } _ { \\mathrm { C o n s t r a i n t o n ~ o n e r ~ c o n e x t } } \\right)\n$$",
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+ "text": "On each iteration, trajectories from each context-restricted MDP $\\mathbf { M } _ { \\omega _ { i } }$ are collected using $\\pi _ { i }$ , and each local policy $\\pi _ { i }$ takes a gradient step with the surrogate loss in succession. It should be noted that the cost of evaluating and optimizing the KL divergence penalties grows quadratically with the number of contexts, as the number of penalty terms is quadratic. For practical tasks however, the number of contexts will be on the order of 5-10, and the quadratic cost imposes minimal overhead for the TRPO conjugate gradient evaluation. ",
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+ "type": "text",
+ "text": "After repeating the trajectory collection and policy optimization procedure for a fixed number of iterations, we seek to retrieve $\\pi _ { c }$ , a central policy in the original task from the local policies trained via TRPO. As discussed in Section 4.1, this corresponds to minimizing the KL divergence between $\\pi$ and $\\pi _ { c }$ , which neatly simplifies into a maximum likelihood problem with samples from all the various policies. ",
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+ "text": "$$\n\\mathcal { L } _ { c e n t e r } ( \\pi _ { c } ) = \\mathbb { E } _ { \\pi } [ D _ { K L } ( \\pi ( \\cdot | s ) \\| \\pi _ { c } ( \\cdot | s ) ) ] \\propto \\sum _ { i } \\rho ( \\omega _ { i } ) \\mathbb { E } _ { \\pi _ { i } } \\left[ - \\log \\pi _ { c } ( s , a ) \\right]\n$$",
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+ "text": "If $\\pi _ { c }$ performs inadequately on the full task, the local policy training procedure is repeated, initializing the local policies to start at $\\pi _ { c }$ . We alternately optimize the local policies and the global policy in this manner, until convergence. The algorithm is laid out fully in pseudocode below. ",
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+ "table_body": "| R ←Distillation Period function DNC() |
| Sample initial states so from the task |
| Produce contexts W1, W2,...Wn by clustering initial states so |
| Randomly initialize central policy Tc |
| for t = 1,2... until convergence do |
| Setπi=πc foralli=1...n |
| for R iterations do |
| Collect trajectories Ti in context wi using policy πi for all i = 1...n for all local policies Ti do |
| Take gradient step in surrogate loss L wrt Ti |
| Minimize Lcenter W.r.t. πc using previously sampled states (Ti)=1 |
| return Tc |
",
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+ "type": "text",
+ "text": "5 EXPERIMENTAL EVALUATION ",
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+ "text": "We focus our analysis on tasks spanning two different domains: manipulation and locomotion. Manipulation tasks involve handling an un-actuated object with a robotic arm, and locomotion tasks involve tackling challenging terrains. We illustrate a variety of behaviors in both settings. Standard continuous control benchmarks are known to represent relatively mild representational challenges (Rajeswaran et al., 2017b), and thus it was important to design new tasks that are more challenging in order to illustrate the potential of proposed approach. Tasks were designed to bring out complex contact rich behaviors in settings with considerable variation and diversity. All of our environments are designed and simulated in MuJoCo (Todorov et al., 2012). ",
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+ "text": "Our experiments and analysis aim to address the following questions: ",
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+ "text": "1. Can DnC solve highly complex tasks in a variety of domains, especially tasks that cannot be solved with current conventional policy gradient methods? 2. How does the form of the constraint on the ensemble policies in DnC affect the performance of the final policy, as compared to previously proposed constraints? ",
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+ "text": "We compare DnC to the following prior methods and ablated variants: ",
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+ "text": "• TRPO. TRPO (Schulman et al., 2015) represents a state-of-the-art policy gradient method, which we use for the standard RL comparison without decomposition into contexts. TRPO is provided with the same batch size as the sum of the batches over all of the policies in our algorithm, to ensure a fair comparison. Distral. Originally formulated as transfer learning in a discrete action space (Teh et al., 2017), we extend Distral to our stochastic initial state continuous control setting, where each context $\\omega$ is a different task. For proper comparison between the algorithms, we port ",
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+ "type": "text",
+ "text": "Distral to the TRPO objective, since empirically TRPO outperforms other policy gradient methods in this domain. This algorithm, which resembles the structure of guided policy search, also trains an ensemble of policies, but constrains them at each gradient step against a single global policy trained with supervised learning, and omits the distillation step that our method performs every $R$ iterations. ",
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+ "text": "• Unconstrained DnC. We run the DnC algorithm without any KL constraints. This reduces to running TRPO to train policies $( \\pi _ { i } ) _ { i = 1 } ^ { n }$ on each context, and distilling the resulting local policies every $R$ iterations. ",
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+ "text": "• Centralized DnC. Whereas DnC doesn’t perform inference on context, centralized DnC uses an oracle to perfectly identify the context $\\omega$ from the state $s$ . The resulting algorithm is equivalent to the Distral objective, but distills every $R$ steps. ",
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+ "text": "Performance of these methods is highly dependent on the choice of $\\alpha$ , the penalty hyperparameter that controls how tightly to couple the local policies. For each task, we run a hyperparameter sweep for each method, showing results for the best penalty weight. Furthermore, performance of policy gradient methods like TRPO varies significantly from run to run, so we run each experiment with 5 random seeds, reporting mean statistics and standard deviations. The experimental procedure is detailed more extensively in Appendix A. ",
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+ "text": "For each evaluation task, we use a k-means clustering procedure to partition the initial state space into four contexts, which we found empirically to create stable partitions, and yield high performance across algorithms. We further detail the clustering procedure and examine the effect of partition size on DnC in Appendix C. The focus of our work is finding a single global policy that performs well on the full state space, but we further compare to oracle-based ensemble policies in Appendix D. ",
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+ "text": "6 ROBOTIC MANIPULATION ",
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+ "text": "For robotic manipulation, we simulate the Kinova Jaco, a 7 DoF robotic arm with 3 fingers. The agent receives full state information, which includes the current absolute location of external objects such as boxes. The agent uses low-level joint torque control to perform the required actions. Note that use of low-level torque control significantly increases complexity, as raw torque control on a 7 DoF arm requires delicate movements of the joints to perform each task. We describe the tasks below, and present full specifics in Appendix B. ",
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+ "text": "Picking. The Picking task requires the Jaco to pick up a small block and raise it as high as possible. The agent receives reward only when the block is in the agent’s hand. The starting position of the block is randomized within a fixed $3 0 \\mathrm { c m }$ by $3 0 \\mathrm { c m }$ square surface on the table. Picking up the block from different locations within the workspace require diverse poses, making this task challenging in the torque control framework. TRPO can only solve the picking task from a 4cm by 4cm workspace, and from wider configurations, the Jaco fails to grasp with a high success rate with policies learnt via TRPO. ",
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+ "text": "Lobbing. The Lobbing task requires the Jaco to flick a block into a target box, which is placed in a randomized location within a 1m by 1m square, far enough that the arm cannot reach it directly. This problem inherits many challenges from the picking task. Furthermore, the sequential nature of grasping and flicking necessitates that information pass temporally and requires synthesis of multiple skills. ",
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+ "text": "Catching. In the Catching task, a ball is thrown at the robot with randomized initial position and velocity, and the arm must catch it in the air. Fixed reward is awarded every step that the ball is in or next to the hand. This task is particularly challenging due the temporal sensitivity of the problem, since the end-effector needs to be in perfect sync with the flying object successfully finish the grasp. This extreme temporal dependency renders stochastic estimates of the gradients ineffective in guiding the learning. ",
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+ "text": "DnC exceeds the performance of the alternative methods on all of the manipulation tasks, as shown in Figure 1. For each task, we include the average reward, as well as a success rate measure, which provides a more interpretable impression of the performance of the final policy. TRPO by itself is unable to solve any of the tasks, with success rates below $10 \\%$ in each case. The policies learned by ",
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+ {
+ "type": "image",
+ "img_path": "images/d7369b44ff08b0fde7b1c188d2da07b91bd7675d1c7ced992eddcb40c0ff8bb6.jpg",
+ "image_caption": [
+ "Figure 1: Average return and success rate learning curves of the global policy on Picking, Lobbing, Catching, Ant, and Stairs when partitioned into 4 contexts. Metrics are evaluated each iteration on the global policy distilled from the current local policies at that iteration. On all of the tasks, DnC RL achieves the best results. On the Catching and Ant tasks, DnC performs comparably to the centralized variant, while on the Picking, Lobbing, and Stairs tasks, the full algorithm outperforms all others by a wide margin. All of the experiments are shown with 5 random seeds. "
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+ "table_body": " | Picker | Lobber | Catcher | Ant Position | Stairs |
| TRPO | 0.5± 0.2 | 23.5±1.2 | 6.6 ±1.3 | 23.7 ± 3.0 | 563.7 ± 61.2 |
| Distral | 23.0± 5.0 | 31.4 ± 0.7 | 36.9 ± 4.5 | 137.5 ± 1.5 | 616.0 ± 121.3 |
| Unconstrained | 16.9 ± 5.2 | 32.3 ± 0.8 | 40.2 ± 2.9 | 138.8 ± 4.2 | 1087.0 ± 196.8 |
| Centralized DnC (ours) | 37.2 ± 8.7 | 31.8 ± 0.5 | 46.6 ± 3.5 | 138.6 ± 4.4 | 1018.1 ± 207.1 |
| DnC (ours) | 55.3 ± 6.3 | 41.3 ± 0.4 | 48.9 ± 1.0 | 146.3 ± 1.3 | 1137.6 ± 71.5 |
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+ "text": "Table 1: Overall performance comparison between DnC and competing methods, based on final average return. Performance varies from run to run, so we run each experiment with five random seeds. For each of the tasks, the best performing method is $\\mathrm { D n C }$ or centralized DnC. ",
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+ "type": "text",
+ "text": "TRPO are qualitatively reasonable, but lack the intricate details required to address the variability of the task. ",
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+ "text": "TRPO fails because of the high stochasticity in the problem and the diversity of optimal behaviour for various initial states, because the algorithm cannot make progress on the full task with such noisy gradients. When we partition the manipulation tasks into contexts, the behavior within each context is much more homogeneous. ",
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+ "type": "text",
+ "text": "Figure 1 shows that DnC outperforms both the adapted Distral variant and the two ablations of our method. On the picking task, DnC has a $16 \\%$ higher success rate than the next best method, which is an ablated variant of DnC, and on the lobbing task, places the object three times closer to the goal as the other methods do. Both the pairwise KL penalty and the periodic reset in DnC appear to be crucial for the algorithm’s performance. In contrast to the methods that share information exclusively though a single global policy, the pairwise KL terms allow for more efficient information exchange. On the Picking task, the centralized variant of DnC struggles to pick up the object pockets along the boundaries of the contexts, likely because the local policies differ too much in these regions, and centralized distillation is insufficient to produce effective behavior. ",
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+ "type": "text",
+ "text": "On the catching task (Figure 1c), the baselines which are distilled every 100 iterations (the DnC variants) all perform well, whereas Distral lags behind. The policy learned by Distral grasps the ball from an awkward orientation, so the grip is unstable and the ball quickly drops out. Since Distral does not distill and reset the local policies, it fails to escape this local optimal behaviour. ",
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+ "type": "text",
+ "text": "7 LOCOMOTION ",
+ "text_level": 1,
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+ "type": "text",
+ "text": "Our locomotion tasks involve learning parameterized navigation skills in two domains. ",
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+ "type": "text",
+ "text": "Ant Position In the Ant Position task, the quadruped ant is tasked with reaching a particular goal position; the exact goal position is randomly selected along the perimeter of a circle $5 \\mathrm { m }$ in radius for each trajectory. The ant is penalized for its distance from the goal every timestep. Although moving the ant in a single direction is solved, training an ant to walk to an arbitrary point is difficult because the task is symmetric and the global gradients may be dampened by noise in several directions. ",
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+ "type": "text",
+ "text": "Stairs In the Stairs task, a planar (2D) bipedal robot must climb a set of stairs, where the stairs have varying heights and lengths. The agent is rewarded for forward progress. Unlike the other tasks in this paper, there exists a single gait that can solve all possible heights, since a policy that can clear the highest stair can also clear lower stairs with no issues. However, optimal behavior that maximizes reward will maintain more specialized gaits for various heights. The agent locally observes the structure of the environment via a perception system that conveys the information about the height of the next step. This task is particularly interesting because it requires the agent to compose and maintain various gaits in an diverse environment with rich contact dynamics. ",
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+ "type": "text",
+ "text": "As in manipulation, we find that DnC performs either on par or better than all of the alternative methods on each task. TRPO is able to solve the Ant task, but requires 400 million samples, whereas variants of our method solve the task in a tenth of the sample complexity. Initial behaviour of TRPO has the ant moving in random directions throughout a trajectory, unable to clearly associate movement in a direction with the goal reward. On the Stairs task, TRPO learns to take long striding gaits that perform well on shorter stairs but cause the agent to trip on the taller stairs, because the reward signal from the shorter stairs is much stronger. In DnC, by separating the gradient updates by context, we can mitigate the effect of a strong reward signal on a context from affecting the policies of the other contexts. ",
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+ "text": "We notice large differences between the gaits learned by the baselines and DnC on the Stairs task. DnC learns a striding gait on shorter stairs, and a jumping gait on taller stairs, but it is clearly visible that the two gaits share structure. In contrast, the other partitioning algorithms learn hopping motions that perform well on tall stairs, but are suboptimal on shorter stairs, so brittle to context. ",
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+ {
+ "type": "text",
+ "text": "8 DISCUSSION AND FUTURE WORK ",
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+ "type": "text",
+ "text": "In this paper, we proposed divide-and-conquer reinforcement learning, an RL algorithm that separates complex tasks into a set of local tasks, each of which can be used to learn a separate policy. These separate policies are constrained against one another to arrive at a single, globally coherent solution, which can then be used to solve the task from any initial state. Our experimental results show that divide-and-conquer reinforcement learning substantially outperforms standard RL algorithms that samples initial and goal states from their respective distributions at each trial, as well as previously proposed methods that employ ensembles of policies. For each of the domains in our experimental evaluation, standard policy gradient methods are generally unable to find a successful solution. ",
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+ "type": "text",
+ "text": "Although our approach improves on the power of standard reinforcement learning methods, it does introduce additional complexity due to the need to train ensembles of policies. Sharing of information across the policies is accomplished by means of KL-divergence constraints, but no other explicit representation sharing is provided. A promising direction for future research is to both reduce the computational burden and improve representation sharing between trained policies with both shared and separate components. Exploring this direction could yield methods that are more efficient both computationally and in terms of experience. ",
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+ "type": "text",
+ "text": "ACKNOWLEDGEMENTS ",
+ "text_level": 1,
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+ "type": "text",
+ "text": "This research was supported by the National Science Foundation through IIS-1651843 and IIS1614653, an ONR Young Investigator Program award, and Berkeley DeepDrive. ",
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+ {
+ "type": "text",
+ "text": "REFERENCES ",
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+ "text": "Yee Whye Teh, Victor Bapst, Wojciech Marian Czarnecki, John Quan, James Kirkpatrick, Raia Hadsell, Nicolas Heess, and Razvan Pascanu. Distral: Robust multitask reinforcement learning. In NIPS, 2017. ",
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+ "text": "Ronald J. Williams. Simple statistical gradient-following algorithms for connectionist reinforcement learning. Machine Learning, 8(3):229–256, 1992. ",
+ "bbox": [
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+ {
+ "type": "text",
+ "text": "A EXPERIMENTAL DETAILS ",
+ "text_level": 1,
+ "bbox": [
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+ "page_idx": 10
+ },
+ {
+ "type": "text",
+ "text": "To ensure consistency, all the methods tested are implemented on the TRPO objective function, allowing for comparisons between the various types of constraint. In particular, the Distral algorithm is ported from a soft Q-learning setting to TRPO. TRPO was chosen as it outperforms other policy gradient methods on challenging continuous control tasks. To properly compare TRPO to the partition-based methods for sample efficiency, we increase the number of timesteps of simulation used per policy update for TRPO. Explicitly, if $B$ is the number of timesteps simulated used for a single local policy iteration in $\\mathrm { D n C }$ , and $N$ the number of local policies, then we use $B * N$ timesteps for each policy iteration in TRPO. ",
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+ {
+ "type": "text",
+ "text": "Stochastic policies are parametrized as $\\pi _ { \\boldsymbol { \\theta } } ( a | s ) \\sim \\mathcal { N } ( \\mu _ { \\boldsymbol { \\theta } } ( s ) , \\Sigma _ { \\boldsymbol { \\theta } } )$ . The mean, $\\mu _ { \\theta } ( \\cdot )$ , is a fullyconnected neural network with 3 hidden layers containing 150, 100, and 50 units respectively. $\\Sigma$ is a learned diagonal covariance matrix, and is initially set to $\\Sigma = I$ . ",
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+ "type": "text",
+ "text": "The primary hyperparameters of concern are the TRPO learning rate $\\bar { D } _ { K L }$ and the penalty $\\alpha$ . The TRPO learning rate is global to the task; for each task, to find an appropriate learning rate, we ran TRPO with five learning rates $\\{ . 0 0 2 5 , . 0 0 5 , . 0 1 , . 0 2 , . 0 4 \\}$ . The penalty parameter is not shared across the methods, since a fixed penalty might yield different magnitudes of constraint for each method. We ran DnC, Centralized DnC, and Distral with five penalty parameters on each task. The penalty parameter with the highest final reward was selected for each algorithm on each task. Because of variance of performance between runs, each experiment was replicated with five random seeds, reporting average and SD statistics. ",
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+ {
+ "type": "table",
+ "img_path": "images/1643f7a9c563e514ed5d613741680795de44588c2adde9c5fec60f9eefacaf08.jpg",
+ "table_caption": [],
+ "table_footnote": [],
+ "table_body": " | Picker | Lobber | Catcher | Ant Position | Stairs |
| State Space Dimension | 34 | 40 | 34 | 146 | 41 |
| Action Space Dimension | 7 | 7 | 7 | 8 | 6 |
| # Steps per Local Iteration | 30000 | 30000 | 30000 | 50000 | 50000 |
| # Iterations | 1000 | 1000 | 750 | 750 | 1000 |
| Distillation Period | 100 | 100 | 100 | 50 | 100 |
| Learning Rate | .01 | .02 | .02 | .01 | .02 |
",
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+ {
+ "type": "text",
+ "text": "B TASK DESCRIPTIONS ",
+ "text_level": 1,
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+ "type": "text",
+ "text": "All the tasks in this work have the agent operate via low-level joint torque control. For Jaco-related tasks, the action space is 7 dimensional, and the control frequency is $2 0 \\mathrm { H z }$ . For target-based tasks, instead of using the true distance to the target, we normalize the distance so the initial distance to the target is 1. ",
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+ "type": "text",
+ "text": "Picking The observation space includes the box position, box velocity, and end-effector position. On each trajectory, the box is placed in an arbitrary location within a $3 0 \\mathrm { c m }$ by $3 0 \\mathrm { c m }$ square surface of the table. ",
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+ "type": "equation",
+ "img_path": "images/063a323cafcf0195e74d70656361fef0b409b5a5a2ef1e018485e1d3e89f3df3.jpg",
+ "text": "$$\nR ( s ) = \\mathbf { 1 } \\{ \\mathrm { B o x ~ i n ~ a i r ~ a n d ~ B o x ~ w i t h i n ~ 8 c m ~ o f ~ J a c o ~ e n d - e f f e c t o r } \\}\n$$",
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+ "text": "Lobbing. The observation space includes the box position,box velocity, end-effector position, and target position. On each trajectory, the target location is randomized over a 1m by 1m square. ",
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+ "type": "text",
+ "text": "An episode runs until the box is lobbed and lands on the ground. Reward is received only on the final step of the episode when the lobbed box lands; reward is proportional to the box’s time in air, $t _ { a i r }$ , and the box’s normalized distance to target, $d _ { t a r g e t } ^ { \\prime }$ . ",
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+ "text": "$$\nR ( s ) = t _ { a i r } + 4 0 \\operatorname* { m a x } ( 0 , 1 - d _ { t a r g e t } ^ { \\prime } )\n$$",
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+ "type": "text",
+ "text": "Catching. The observation space includes the ball position, ball velocity, and end-effector position. On each trajectory, both the ball position and velocity are randomized, while ensuring the ball is still “catchable”. ",
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+ "type": "equation",
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+ "text": "$$\nR ( s ) = \\mathbf { 1 } \\{ \\mathrm { B a l l ~ i n ~ a i r ~ a n d ~ B a l l ~ w i t h i n ~ \\& m ~ o f ~ J a c o ~ e n d - e f f e c t o r } \\}\n$$",
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+ "text": "Ant Position. The target location of the ant is chosen randomly on a circle with radius $5 \\mathrm { m }$ . ",
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+ "type": "text",
+ "text": "The reward function takes into account the normalized distance of the ant to target, $d _ { t a r g e t } ^ { \\prime }$ , and as with the standard quadruped, the magnitude of torque, $\\| a \\|$ , and the magnitude of contact force, $\\| c \\|$ . ",
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+ "type": "equation",
+ "img_path": "images/758156c35c02dc35de0ce7773a6f31600853c3fba010dd809673a61b39d75f92.jpg",
+ "text": "$$\nR ( s , a ) = 1 - d _ { t a r g e t } ^ { \\prime } - 0 . 0 1 \\| a \\| - 0 . 0 0 1 \\| c \\|\n$$",
+ "text_format": "latex",
+ "bbox": [
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+ "page_idx": 11
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+ {
+ "type": "text",
+ "text": "Stairs. The planar bipedal robot has a perception system which is used to communicate the local terrain. The height of the platforms are given at 25 points evenly spaced from 0.5 meters behind the robot to 1 meters in front. On each trajectory, the heights of stairs are randomized between $5 \\mathrm { c m }$ and $2 5 \\mathrm { { c m } }$ , and lengths randomized between $5 0 \\mathrm { c m }$ and $6 0 \\mathrm { c m }$ . The reward weighs the forward velocity $v _ { x }$ , and the torque magnitude $\\| a \\|$ . ",
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+ "img_path": "images/6681dcb509b4932c1575d72ccfdb9bb5dc423973c8c173bb351cd02888e14e63.jpg",
+ "text": "$$\nR ( s , a ) = v _ { x } - 0 . 5 \\| a \\| + 0 . 0 1\n$$",
+ "text_format": "latex",
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+ {
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+ "text": "C AUTOMATED PARTITIONING",
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+ "text": "In this section, we detail the procedure used to partition the initial state space into contexts, and examine performance of $\\scriptstyle \\mathrm { D n C }$ as the number of contexts is varied. 10000 initial states are sampled from the task, and are fed through a $K$ -means clustering procedure to produce $k$ cluster centers $( c _ { i } ) _ { i = 1 } ^ { k }$ . We assign initial states to the context with the closest center: ",
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+ "text": "$$\n\\omega _ { i } = \\arg \\operatorname* { m i n } _ { i } \\| c _ { i } - s _ { 0 } \\| ^ { 2 }\n$$",
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+ "text": "The $\\mathbf { k }$ -means procedure is sensitive to the relative scaling of the state, but we found empirically that the clustering procedure yielded sane partitions on all the benchmark tasks. We examine the performance of DnC with this partitioning scheme when split into two,four, and eight contexts respectively, and for comparison, we also include a manually labelled partition. The manual partition into four contexts is a grid decomposition along the axes of stochasticity. To ensure a fair comparison, the sample complexity is kept constant across variants: when run with two contexts, each local policy consumes twice the number of samples as when run with four contexts. ",
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+ "table_body": " | Picker | Lobber | Catcher | Ant Position | Stairs |
| 2 Contexts | 14.7± 2.2 | 42.0 ± 0.7 | 39.2 ± 9.4 | 145.2 ± 1.5 | 1040.8 ± 44.2 |
| 4 Contexts | 55.3± 6.3 | 41.3 ± 0.4 | 48.9 ± 1.0 | 146.3 ± 1.3 | 1137.6 ± 71.5 |
| 4 Contexts (Manual) | 44.5 ± 6.8 | 42.2 ± 0.7 | 35.8 ± 4.1 | 81.7 ± 1.8 | 1218.2 ± 27.8 |
| 8 Contexts | 51.0 ± 4.3 | 40.6 ± 0.6 | 43.8 ± 3.7 | 133.4 ± 3.3 | 1084.9 ± 41.0 |
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+ "text": "On all the tasks, running DnC with four contexts is either the best performing method, or closely matches the best performing method. This indicates a balance between representation sharing within a context, and the benefit from optimizing over small contexts. When run with two contexts, the contexts being optimized over are relatively large, and thus face many of the same issues as TRPO in extracting a signal from a noisy gradient, perhaps best seen in the Picking task. The performance increase from TRPO to two-context DnC however seems to indicate that the distillation and reset of local policies prevents the learning algorithm from being stuck in local optima. When run with eight tasks, we notice a representation sharing issue, since even between very similar initial states, information can only be shared through the KL constraint, which is a bottleneck. This analysis indicates that the choice of the number of clusters is a trade-off between having large enough contexts to share information freely between similar states, and having small enough states to overcome the noise in the policy gradient signal. ",
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+ "text": "Whereas DnC maintains a global policy to run on all contexts, we consider in this section ablations whose final output is an ensemble of local policies, choosing the appropriate policy on each trajectory via oracle. ",
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+ "text": "Final Local Policies We run the DnC algorithm, and return the ensemble of final local policies instead of the resulting global policy. This method is expected to outperform DnC, since the global policy should be strictly worse than the local ensemble. However, as seen in the table below, the gap in performance is low for the majority of tasks, showing that minimal information is lost in transferring from the ensemble of local policies to the global policy. ",
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+ "table_body": " | Picker | Lobber | Catcher | Ant Position | Stairs |
| Final Global Policy (DnC) | 55.3 ± 6.3 | 41.3 ± 0.4 | 48.9 ±1.0 | 146.3 ± 1.3 | 1137.6 ± 71.5 |
| Final Local Policies | 56.6 ± 6.4 | 41.2 ± 0.4 | 50.2±0.7 | 146.6 ± 0.5 | 1170.0 ± 68.4 |
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+ "text": "No Distillation We run the DnC algorithm, discarding the distillation step every $R$ iterations. This is equivalent to training local policies with pairwise KL constraints till convergence, and considering the resulting ensemble of local policies. We notice that DnC significantly outperforms the variant without distillation on three of the tasks, and has equivalent performance on the other two. We hypothesize this is because the local policies often become trapped in local minima, and the distillation step helps adjust the policy out of the optima. This is consistent with observations in previous work involving trajectory optimization (Mordatch et al., 2015), where adding a central neural network to which trajectories were distilled significantly increased performance. ",
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| Distillation (DnC) | 55.3 ± 6.3 | 41.3 ± 0.4 | 48.9 ± 1.0 | 146.3 ± 1.3 | 1137.6 ± 71.5 |
| No Distillation | 30.2±6.8 | 40.6 ± 1.0 | 20.3±2.7 | 69.8 ± 1.4 | 919.5 ± 28.2 |
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| Sample initial states so from the task |
| Produce contexts W1, W2,...Wn by clustering initial states so |
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| for t = 1,2... until convergence do |
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| TRPO | 0.5± 0.2 | 23.5±1.2 | 6.6 ±1.3 | 23.7 ± 3.0 | 563.7 ± 61.2 |
| Distral | 23.0± 5.0 | 31.4 ± 0.7 | 36.9 ± 4.5 | 137.5 ± 1.5 | 616.0 ± 121.3 |
| Unconstrained | 16.9 ± 5.2 | 32.3 ± 0.8 | 40.2 ± 2.9 | 138.8 ± 4.2 | 1087.0 ± 196.8 |
| Centralized DnC (ours) | 37.2 ± 8.7 | 31.8 ± 0.5 | 46.6 ± 3.5 | 138.6 ± 4.4 | 1018.1 ± 207.1 |
| DnC (ours) | 55.3 ± 6.3 | 41.3 ± 0.4 | 48.9 ± 1.0 | 146.3 ± 1.3 | 1137.6 ± 71.5 |
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| TRPO | 0.5± 0.2 | 23.5±1.2 | 6.6 ±1.3 | 23.7 ± 3.0 | 563.7 ± 61.2 |
| Distral | 23.0± 5.0 | 31.4 ± 0.7 | 36.9 ± 4.5 | 137.5 ± 1.5 | 616.0 ± 121.3 |
| Unconstrained | 16.9 ± 5.2 | 32.3 ± 0.8 | 40.2 ± 2.9 | 138.8 ± 4.2 | 1087.0 ± 196.8 |
| Centralized DnC (ours) | 37.2 ± 8.7 | 31.8 ± 0.5 | 46.6 ± 3.5 | 138.6 ± 4.4 | 1018.1 ± 207.1 |
| DnC (ours) | 55.3 ± 6.3 | 41.3 ± 0.4 | 48.9 ± 1.0 | 146.3 ± 1.3 | 1137.6 ± 71.5 |
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+ "score": 1.0,
+ "content": "Marcin Andrychowicz, Filip Wolski, Alex Ray, Jonas Schneider, Rachel Fong, Peter Welinder, Bob",
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| 2 Contexts | 14.7± 2.2 | 42.0 ± 0.7 | 39.2 ± 9.4 | 145.2 ± 1.5 | 1040.8 ± 44.2 |
| 4 Contexts | 55.3± 6.3 | 41.3 ± 0.4 | 48.9 ± 1.0 | 146.3 ± 1.3 | 1137.6 ± 71.5 |
| 4 Contexts (Manual) | 44.5 ± 6.8 | 42.2 ± 0.7 | 35.8 ± 4.1 | 81.7 ± 1.8 | 1218.2 ± 27.8 |
| 8 Contexts | 51.0 ± 4.3 | 40.6 ± 0.6 | 43.8 ± 3.7 | 133.4 ± 3.3 | 1084.9 ± 41.0 |
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| Sample initial states so from the task |
| Produce contexts W1, W2,...Wn by clustering initial states so |
| Randomly initialize central policy Tc |
| for t = 1,2... until convergence do |
| Setπi=πc foralli=1...n |
| for R iterations do |
| Collect trajectories Ti in context wi using policy πi for all i = 1...n for all local policies Ti do |
| Take gradient step in surrogate loss L wrt Ti |
| Minimize Lcenter W.r.t. πc using previously sampled states (Ti)=1 |
| return Tc |
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diff --git a/parse/train/ry8dvM-R-/ry8dvM-R-.md b/parse/train/ry8dvM-R-/ry8dvM-R-.md
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+# ROUTING NETWORKS: ADAPTIVE SELECTION OF NON-LINEAR FUNCTIONS FOR MULTI-TASK LEARNING
+
+Clemens Rosenbaum
+College of Information and Computer Sciences
+University of Massachusetts Amherst
+140 Governors Dr., Amherst, MA 01003
+cgbr@cs.umass.edu
+
+Tim Klinger & Matthew Riemer IBM Research AI 1101 Kitchawan Rd, Yorktown Heights, NY 10598 {tklinger,mdriemer}@us.ibm.com
+
+# ABSTRACT
+
+Multi-task learning (MTL) with neural networks leverages commonalities in tasks to improve performance, but often suffers from task interference which reduces the benefits of transfer. To address this issue we introduce the routing network paradigm, a novel neural network and training algorithm. A routing network is a kind of self-organizing neural network consisting of two components: a router and a set of one or more function blocks. A function block may be any neural network – for example a fully-connected or a convolutional layer. Given an input the router makes a routing decision, choosing a function block to apply and passing the output back to the router recursively, terminating when a fixed recursion depth is reached. In this way the routing network dynamically composes different function blocks for each input. We employ a collaborative multi-agent reinforcement learning (MARL) approach to jointly train the router and function blocks. We evaluate our model against cross-stitch networks and shared-layer baselines on multi-task settings of the MNIST, mini-imagenet, and CIFAR-100 datasets. Our experiments demonstrate a significant improvement in accuracy, with sharper convergence. In addition, routing networks have nearly constant per-task training cost while cross-stitch networks scale linearly with the number of tasks. On CIFAR100 (20 tasks) we obtain cross-stitch performance levels with an $8 5 \%$ reduction in training time.
+
+# 1 INTRODUCTION
+
+Multi-task learning (MTL) is a paradigm in which multiple tasks must be learned simultaneously. Tasks are typically separate prediction problems, each with their own data distribution. In an early formulation of the problem, (Caruana, 1997) describes the goal of MTL as improving generalization performance by “leveraging the domain-specific information contained in the training signals of related tasks.” This means a model must leverage commonalities in the tasks (positive transfer) while minimizing interference (negative transfer). In this paper we propose a new architecture for MTL problems called a routing network, which consists of two trainable components: a router and a set of function blocks. Given an input, the router selects a function block from the set, applies it to the input, and passes the result back to the router, recursively up to a fixed recursion depth. If the router needs fewer iterations then it can decide to take a PASS action which leaves the current state unchanged. Intuitively, the architecture allows the network to dynamically self-organize in response to the input, sharing function blocks for different tasks when positive transfer is possible, and using separate blocks to prevent negative transfer.
+
+The architecture is very general allowing many possible router implementations. For example, the router can condition its decision on both the current activation and a task label or just one or the other. It can also condition on the depth (number of router invocations), filtering the function module choices to allow layering. In addition, it can condition its decision for one instance on what was historically decided for other instances, to encourage re-use of existing functions for improved compression. The function blocks may be simple fully-connected neural network layers or whole networks as long as the dimensionality of each function block allows composition with the previous function block choice. They needn’t even be the same type of layer. Any neural network or part of a network can be “routed” by adding its layers to the set of function blocks, making the architecture applicable to a wide range of problems. Because the routers make a sequence of hard decisions, which are not differentiable, we use reinforcement learning (RL) to train them. We discuss the training algorithm in Section 3.1, but one way we have modeled this as an RL problem is to create a separate RL agent for each task (assuming task labels are available in the dataset). Each such task agent learns its own policy for routing instances of that task through the function blocks.
+
+To evaluate we have created a “routed” version of the convnet used in (Ravi & Larochelle, 2017) and use three image classification datasets adapted for MTL learning: a multi-task MNIST dataset that we created, a Mini-imagenet data split as introduced in (Vinyals et al., 2016), and CIFAR-100 (Krizhevsky, 2009), where each of the 20 label superclasses are treated as different tasks.1 We conduct extensive experiments comparing against cross-stitch networks (Misra et al., 2016) and the popular strategy of joint training with layer sharing as described in (Caruana, 1997). Our results indicate a significant improvement in accuracy over these strong baselines with a speedup in convergence and often orders of magnitude improvement in training time over cross-stitch networks.
+
+# 2 RELATED WORK
+
+Work on multi-task deep learning (Caruana, 1997) traditionally includes significant hand design of neural network architectures, attempting to find the right mix of task-specific and shared parameters. For example, many architectures share low-level features like those learned in shallow layers of deep convolutional networks or word embeddings across tasks and add task-specific architectures in later layers. By contrast, in routing networks, we learn a fully dynamic, compositional model which can adjust its structure differently for each task.
+
+Routing networks share a common goal with techniques for automated selective transfer learning using attention (Rajendran et al., 2017) and learning gating mechanisms between representations (Stollenga et al., 2014), (Misra et al., 2016), (Ruder et al., 2017). In the latter two papers, experiments are performed on just 2 tasks at a time. We consider up to 20 tasks in our experiments and compare directly to (Misra et al., 2016).
+
+Our work is also related to mixtures of experts architectures (Jacobs et al., 1991), (Jordan & Jacobs, 1994) as well as their modern attention based (Riemer et al., 2016) and sparse (Shazeer et al., 2017) variants. The gating network in a typical mixtures of experts model takes in the input and chooses an appropriate weighting for the output of each expert network. This is generally implemented as a soft mixture decision as opposed to a hard routing decision, allowing the choice to be differentiable. Although the sparse and layer-wise variant presented in (Shazeer et al., 2017) does save some computational burden, the proposed end-to-end differentiable model is only an approximation and doesn’t model important effects such as exploration vs. exploitation tradeoffs, despite their impact on the system. Mixtures of experts have recently been considered in the transfer learning setting (Aljundi et al., 2016), however, the decision process is modelled by an autoencoder-reconstructionerror-based heuristic and is not scaled to a large number of tasks.
+
+In the use of dynamic representations, our work is also related to single task and multi-task models that learn to generate weights for an optimal neural network (Ha et al., 2016), (Ravi & Larochelle, 2017), (Munkhdalai & Yu, 2017). While these models are very powerful, they have trouble scaling to deep models with a large number of parameters (Wichrowska et al., 2017) without tricks to simplify the formulation. In contrast, we demonstrate that routing networks can be applied to create dynamic network architectures for architectures like convnets by routing some of their layers.
+
+Our work extends an emerging line of recent research focused on automated architecture search. In this work, the goal is to reduce the burden on the practitioner by automatically learning black box algorithms that search for optimal architectures and hyperparameters. These include techniques based on reinforcement learning (Zoph & Le, 2017), (Baker et al., 2017), evolutionary algorithms (Miikkulainen et al., 2017), approximate random simulations (Brock et al., 2017), and adaptive growth (Cortes et al., 2016). To the best of our knowledge we are the first to apply this idea to multitask learning. Our technique can learn to construct a very general class of architectures without the need for human intervention to manually choose which parameters will be shared and which will be kept task-specific.
+
+Also related to our work is the literature on minimizing computation cost for single-task problems by conditional routing. These include decisions trained with REINFORCE (Denoyer & Gallinari, 2014), (Bengio et al., 2015), (Hamrick et al., 2017), Q Learning (Liu & Deng, 2017), and actor-critic methods (McGill & Perona, 2017). Our approach differs however in the introduction of several novel elements. Specifically, our work explores the multi-task learning setting, it uses a multi-agent reinforcement learning training algorithm, and it is structured as a recursive decision process.
+
+There is a large body of related work which focuses on continual learning, in which tasks are presented to the network one at a time, potentially over a long period of time. One interesting recent paper in this setting, which also uses the notion of routes (“paths”), but uses evolutionary algorithms instead of RL is Fernando et al. (2017).
+
+While a routing network is a novel artificial neural network formulation, the high-level idea of task specific “routing” as a cognitive function is well founded in biological studies and theories of the human brain (Gurney et al., 2001), (Buschman & Miller, 2010), (Stocco et al., 2010).
+
+# 3 ROUTING NETWORKS
+
+
+Figure 1: Routing (forward) Example
+
+A routing network consists of two components: a router and a set of function blocks, each of which can be any neural network layer. The router is a function which selects from among the function blocks given some input. Routing is the process of iteratively applying the router to select a sequence of function blocks to be composed and applied to the input vector. This process is illustrated in Figure 1. The input to the routing network is an instance to be classified $( v , \dot { t } ) , v \in \mathbb { R } ^ { d }$ is a representation vector of dimension $d$ and $t$ is an integer task identifier. The router is given $v , t$ and a depth $( = 1 )$ , the depth of the recursion, and selects from among a set of function block choices available at depth 1, $\left\{ f _ { 1 3 } , f _ { 1 2 } , f _ { 1 1 } \right\}$ , picking $f _ { 1 3 }$ which is indicated with a dashed line. $f _ { 1 3 }$ is applied to the input $( v , t )$ to produce an output activation. The router again chooses a function block from those available at depth 2 (if the function blocks are of different dimensions then the router is constrained to select dimensionally matched blocks to apply) and so on. Finally the router chooses a function block from the last (classification) layer function block set and produces the classification $\hat { y }$ .
+
+Algorithm 1 gives the routing procedure in detail. The algorithm takes as input a vector $v$ , task label $t$ and maximum recursion depth $n$ . It iterates $n$ times choosing a function block on each iteration and applying it to produce an output representation vector. A special PASS action (see Appendix Section 7.2 for details) just skips to the next iteration. Some experiments don’t require a task label and in that case we just pass a dummy value. For simplicity we assume the algorithm has access to the router function and function blocks and don’t include them explicitly in the input. The router decision function router : $\mathbb { R } ^ { d } \times \mathbb { Z } ^ { + } \times \mathbb { Z } ^ { + } $ $\{ 1 , 2 , \ldots , k , P A S S \}$ (for $d$ the input representation dimension and $k$ the number of function blocks) maps the current representation $v$ , task label $t \in \mathbb { Z } ^ { + }$ , and current depth $\bar { i } \in \mathbb { Z } ^ { + }$ to the index of the function block to route next in the ordered set function block.
+
+# Algorithm 1: Routing Algorithm
+
+input : $x , t , n$ : $x \in \mathbb { R } ^ { d }$ , $d$ the representation dim; $t$ integer task id; $n$ max depth output: $v$ - the vector result of applying the composition of the selected functions to the input $x$ 1 $v x$ 2 for $i$ in $1 . . . n$ do 3 $\boldsymbol { a } \gets \mathbf { r o u t e r } ( \boldsymbol { x } , t , i )$ 4 if $a \neq P A S S$ then 5 $x \gets$ function blocka(x) 6 return $\nu$
+
+If the routing network is run for $d$ invocations then we say it has depth $d$ . For $N$ function blocks a routing network run to a depth $d$ can select from $N ^ { d }$ distinct trainable functions (the paths in the network). Any neural network can be represented as a routing network by adding copies of its layers as routing network function blocks. We can group the function blocks for each network layer and constrain the router to pick from layer 0 function blocks at depth 0, layer 1 blocks at depth 1, and so on. If the number of function blocks differs from layer to layer in the original network, then the router may accommodate this by, for example, maintaining a separate decision function for each depth.
+
+# 3.1 ROUTER TRAINING USING RL
+
+# Algorithm 2: Router-Trainer: Training of a Routing Network.
+
+input: A dataset $D$ of samples $( v , t , y )$ , $v$ the input representation, $t$ an integer task label, $y$ a ground-truth target label 1 for each sample $s = ( v , t , y ) \in D$ do 2 Do a forward pass through the network, applying Algorithm 1 to sample $s$ . Store a trace $T = ( S , A , R , r _ { f i n a l } )$ , where $S =$ sequence of visited states $\left( { { s } _ { i } } \right)$ ; $A =$ sequence of actions taken $\left( { { a } _ { i } } \right)$ ; $R =$ sequence of immediate action rewards $( r _ { i } )$ for action $a _ { i }$ ; and the final reward rf inal. The last output as the network’s prediction $\hat { y }$ and the final reward $r _ { f i n a l }$ is $+ 1$ if the prediction $\hat { y }$ is correct; $^ { - 1 }$ if not. 3 Compute the loss $\mathcal { L } ( \hat { y } , y )$ between prediction $\hat { y }$ and ground truth $y$ and backpropagate along the function blocks on the selected route to train their parameters. 4 Use the trace $T$ to train the router using the desired RL training algorithm.
+
+We can view routing as an RL problem in the following way. The states of the MDP are the triples $( v ,$ $t , i )$ where $v \in \mathbb { R } ^ { d }$ is a representation vector (initially the input), $t$ is an integer task label for $v$ , and $i$ is the depth (initially 1). The actions are function block choices (and PASS) in $\{ 1 , \dots k , P A S S \}$ for $k$ the number of function blocks. Given a state $s = ( \boldsymbol { v } , t , i )$ , the router makes a decision about which action to take. For the non-PASS actions, the state is then updated $s ^ { \prime } = ( v ^ { \prime } , t , i + 1 )$ and the process continues. The PASS action produces the same representation vector again but increments the depth, so $s ^ { \prime } = ( v , t , i + 1 )$ . We train the router policy using a variety of RL algorithms and settings which we will describe in detail in the next section.
+
+Regardless of the RL algorithm applied, the router and function blocks are trained jointly. For each instance we route the instance through the network to produce a prediction $\hat { y }$ . Along the way we record a trace of the states $s _ { i }$ and the actions $a _ { i }$ taken as well as an immediate reward $r _ { i }$ for action $a _ { i }$ . When the last function block is chosen, we record a final reward which depends on the prediction $\hat { y }$ and the true label $y$ .
+
+$$
+\begin{array} { r l r } & { \left[ \frac { \hat { \rho } _ { 1 3 } ^ { \varDelta } } { \int \ d _ { 1 3 } } \right] \times \frac { \hat { \rho } _ { 2 3 } ^ { \varDelta } } { - \left( - \frac { 1 } { 2 } - 1 \right) ! } = \frac { \hat { \rho } _ { 2 2 } ^ { \varDelta } } { - \left( - \frac { 1 } { 2 } - 1 \right) ! } - \left[ \frac { \hat { \rho } _ { 3 2 } ^ { \varDelta } } { 2 - 1 } - \mathcal { L } ( \hat { y } , y ) \right] \stackrel { \mathrm { R o u t i n g ~ E x a m p l e ~ ( s e e ~ F i g u r e ~ 1 ) } } { - \left( \frac { 1 } { \sqrt { 3 } } \right) ! } \Longrightarrow } & \\ & a _ { 1 } \ll - \frac { + r _ { 1 } } { - \left( - \frac { 1 } { 2 } - 1 - a _ { 2 } \right) + \left( - \frac { 1 } { 2 } - \frac { 1 } { 2 } - 1 - a _ { 3 } \right) + \left( \frac { + r _ { 3 } } { 2 } - \frac { 1 } { \sqrt { 3 } } - r _ { f i n a l } \right. _ { + } . . . . . . . . . . . . . . . . } \end{array}
+$$
+
+Figure 2: Training (backward) Example
+
+We train the selected function blocks using SGD/backprop. In the example of Figure 1 this means computing gradients for $f _ { 3 2 }$ , $f _ { 2 1 }$ and $f _ { 1 3 }$ . We then use the computed trace to train the router using an RL algorithm. The high-level procedure is summarized in Algorithm 2 and illustrated in Figure 2. To keep the presentation uncluttered we assume the RL training algorithm has access to the router function, function blocks, loss function, and any specific hyper-parameters such as discount rate needed for the training and don’t include them explicitly in the input.
+
+# 3.1.1 REWARD DESIGN
+
+A routing network uses two kinds of rewards: immediate action rewards $r _ { i }$ given in response to an action $a _ { i }$ and a final reward $r _ { f i n a l }$ , given at the end of the routing. The final reward is a function of the network’s performance. For the classification problems focused on in this paper, we set it to $+ 1$ if the prediction was correct $( \hat { y } = y )$ ), and $- 1$ otherwise. For other domains, such as regression domains, the negative loss $( - \hat { \cal L } ( \hat { y } , y ) )$ could be used.
+
+We experimented with an immediate reward that encourages the router to use fewer function blocks when possible. Since the number of function blocks per-layer needed to maximize performance is not known ahead of time (we just take it to be the same as the number of tasks), we wanted to see whether we could achieve comparable accuracy while reducing the number of function blocks ever chosen by the router, allowing us to reduce the size of the network after training. We experimented with two such rewards, multiplied by a hyper-parameter $\rho \in [ 0 , 1 ]$ : the average number of times that block was chosen by the router historically and the average historical probability of the router choosing that block. We found no significant difference between the two approaches and use the average probability in our experiments. We evaluated the effect of $\rho$ on final performance and report the results in Figure 12 in the appendix. We see there that generally $\rho = 0 . 0$ (no collaboration reward) or a small value works best and that there is relatively little sensitivity to the choice in this range.
+
+# 3.1.2 RL ALGORITHMS
+
+
+Figure 3: Task-based routing. $\langle v a l u e , t a s k \rangle$ is the input consisting of value, the partial evaluation of the previous function block (or input $x$ ) and the task label task. $\alpha _ { i }$ is a routing agent; $\alpha _ { d }$ is a dispatching agent.
+
+To train the router we evaluate both single-agent and multi-agent RL strategies. Figure 3 shows three variations which we consider. In Figure 3(a) there is just a single agent which makes the routing decision. This is be trained using either policy-gradient (PG) or Q-Learning experiments. Figure 3(b) shows a multi-agent approach. Here there are a fixed number of agents and a hard rule which assigns the input instance to a an agent responsible for routing it. In our experiments we create one agent per task and use the input task label as an index to the agent responsible for routing that instance. Figure 3(c) shows a multi-agent approach in which there is an additional agent, denoted $\alpha _ { d }$ and called a dispatching agent which learns to assign the input to an agent, instead of using a fixed rule. For both of these multi-agent scenarios we additionally experiment with a MARL algorithm called Weighted Policy Learner (WPL).
+
+We experiment with storing the policy both as a table and in form of an approximator. The tabular representation has the invocation depth as its row dimension and the function block as its column dimension with the entries containing the probability of choosing a given function block at a given depth. The approximator representation can consist of either one MLP that is passed the depth (represented in 1-hot), or a vector of $d$ MLPs, one for each decision/depth.
+
+Both the Q-Learning and Policy Gradient algorithms are applicable with tabular and approximation function policy representations. We use REINFORCE (Williams, 1992) to train both the approximation function and tabular representations. For Q-Learning the table stores the Q-values in the entries. We use vanilla Q-Learning (Watkins, 1989) to train tabular representation and train the approximators to minimize the $\ell _ { 2 }$ norm of the temporal difference error.
+
+Implementing the router decision policy using multiple agents turns the routing problem into a stochastic game, which is a multi-agent extension of an MDP. In stochastic games multiple agents interact in the environment and the expected return for any given policy may change without any action on that agent’s part. In this view incompatible agents need to compete for blocks to train, since negative transfer will make collaboration unattractive, while compatible agents can gain by sharing function blocks. The agent’s (locally) optimal policies will correspond to the game’s Nash equilibrium 2
+
+For routing networks, the environment is non-stationary since the function blocks are being trained as well as the router policy. This makes the training considerably more difficult than in the singleagent (MDP) setting. We have experimented with single-agent policy gradient methods such as REINFORCE but find they are less well adapted to the changing environment and changes in other agent’s behavior, which may degrade their performance in this setting.
+
+One MARL algorithm specifically designed to address this problem, and which has also been shown to converge in non-stationary environments, is the weighted policy learner (WPL) algorithm (Abdallah & Lesser, 2006), shown in Algorithm 3. WPL is a PG algorithm designed to dampen oscillation and push the agents to converge more quickly. This is done by scaling the gradient of the expected return for an action $a$ according the probability of taking that action $\pi ( a )$ (if the gradient is positive) or $1 - { \overset { - } { \pi } } ( a )$ (if the gradient is negative). Intuitively, this has the effect of slowing down the learning rate when the policy is moving away from a Nash equilibrium strategy and increasing it when it approaches one. The full WPL algorithm is shown in Algorithm 3. It is assumed that the historical average return $\hat { \mathcal { R } } _ { i }$ for each action $a _ { i }$ is initialized to 0 before the start of training. The function simplex-projection projects the updated policy values to make it a valid probability distribution. The projection is defined as: $c l i p ( \pi ) \dot { / } \sum ( c l i p ( \pi ) )$ , where $c l i p ( x ) = \operatorname* { m a x } ( 0 , m i n ( 1 , x ) )$ . The states $S$ in the trace are not used by the WPL algorithm.
+
+# Algorithm 3: Weighted Policy Learner
+
+input : A trace $\overline { { T = ( S , A , R , r _ { f i n a l } ) } }$ $n$ the maximum depth; $\hat { \mathcal { R } }$ , the historical average returns (initialized to 0 at the start of training); $\gamma$ the discount factor ; and $\lambda _ { \pi }$ the policy learning rate output: An updated router policy $\pi$ 1 for each action $a _ { i } \in A$ do 2 $\begin{array} { r } { \mathcal { R } _ { i } r _ { f i n a l } + \sum _ { j = i } ^ { n } \gamma ^ { j - i } r _ { j } } \end{array}$ 4 Update the average return: 5 $\hat { \mathcal R } _ { i } \gets ( 1 - \lambda _ { \pi } ) \hat { \mathcal R } _ { i } + \lambda _ { \pi } \mathcal R _ { i }$ 6 Compute the gradient: 7 $\Delta ( a _ { i } ) \gets \mathcal { R } _ { i } - \hat { \mathcal { R } } _ { i }$ 8 Update the policy: 9 if $\Delta ( a _ { i } ) < 0$ then 10 $\begin{array} { r l } { | } & { { } \dot { \Delta } ( \dot { a } _ { i } ) \gets \Delta ( a _ { i } ) ( 1 - \pi ( a _ { i } ) ) } \end{array}$ 11 else 12 $\begin{array} { r l } & { \dot { \mathbf { \bigcup } } \Delta ( a _ { i } ) \gets \Delta ( a _ { i } ) ( \pi ( a _ { i } ) ) } \\ & { \pi \gets \mathrm { s i m p l e x – p r o j e c t i o n } ( \pi + \lambda _ { \pi } \Delta ) } \end{array}$ 13
+
+Details, including convergence proofs and more examples giving the intuition behind the algorithm, can be found in (Abdallah & Lesser, 2006). A longer explanation of the algorithm can be found in Section 7.4 in the appendix. The WPL-Update algorithm is defined only for the tabular setting. It is future work to adapt it to work with function approximators.
+
+As we have described it, the training of the router and function blocks is performed independently after computing the loss. We have also experimented with adding the gradients from the router choices $\Delta ( a _ { i } )$ to those for the function blocks which produce their input. We found no advantage but leave a more thorough investigation for future work.
+
+# 4 QUANTITATIVE RESULTS
+
+We experiment with three datasets: multi-task versions of MNIST (MNIST-MTL) (Lecun et al., 1998), Mini-Imagenet (MIN-MTL) (Vinyals et al., 2016) as introduced by (Ravi & Larochelle, 2017), and CIFAR-100 (CIFAR-MTL) (Krizhevsky, 2009) where we treat the 20 superclasses as tasks. In the binary MNIST-MTL dataset, the task is to differentiate instances of a given class $c$ from non-instances. We create 10 tasks and for each we use 1k instances of the positive class $c$ and 1k each of the remaining 9 negative classes for a total of 10k instances per task during training, which we then test on 200 samples per task (2k samples in total). MIN-MTL is a smaller version of ImageNet (Deng et al., 2009) which is easier to train in reasonable time periods. For mini-ImageNet we randomly choose 50 labels and create tasks from 10 disjoint random subsets of 5 labels each chosen from these. Each label has 800 training instances and 50 testing instances – so 4k training and 250 testing instances per task. For all 10 tasks we have a total of 40k training instances. Finally,
+
+CIFAR-100 has coarse and fine labels for its instances. We follow existing work (Krizhevsky, 2009) creating one task for each of the 20 coarse labels and include 500 instances for each of the corresponding fine labels. There are 20 tasks with a total of $2 . 5 \mathrm { k }$ instances per task; $2 . 5 \mathrm { k }$ for training and 500 for testing. All results are reported on the test set and are averaged over 3 runs. The data are summarized in Table 1.
+
+Each of these datasets has interesting characteristics which challenge the learning in different ways. CIFAR-MTL is a “natural” dataset whose tasks correspond to human categories. MIN-MTL is randomly generated so will have less task coherence. This makes positive transfer more difficult to achieve and negative transfer more of a problem. And MNIST-MTL, while simple, has the difficult property that the same instance can appear with different labels in different tasks, causing interference. For example, in the $^ { 6 6 } 0$ vs other digits” task, “0” appears with a positive label but in the “1 vs other digits” task it appears with a negative label.
+
+Our experiments are conducted on a convnet architecture (SimpleConvNet) which appeared recently in (Ravi & Larochelle, 2017). This model has 4 convolutional layers, each consisting of a 3x3 convolution and 32 filters, followed by batch normalization and a ReLU. The convolutional layers are followed by 3 fully connected layers, with 128 hidden units each. Our routed version of the network routes the 3 fully connected layers and for each routed layer we supply one randomly initialized function block per task in the dataset. When we use neural net approximators for the router agents they are always 2 layer MLPs with a hidden dimension of 64. A state $( v , t , i )$ is encoded for input to the approximator by concatenating $v$ with a 1-hot representation of $t$ (if used). That is, encoding(s) $=$ concat $( v , \mathrm { o n e . h o t } ( t ) )$ .
+
+Table 1: Dataset training and testing splits
+
+| Dataset | # Training | # Testing |
| CIFAR-MTL | 50k | 10k |
| MIN-MTL | 40k | 2.5k |
| MNIST-MTL | 100k | 2k |
+
+We did a parameter sweep to find the best learning rate and $\rho$ value for each algorithm on each dataset. We use $\rho = 0 . 0$ (no collaboration reward) for CIFAR-MTL and MIN-MTL and $\rho = 0 . 3$ for MNIST-MTL. The learning rate is initialized to $1 0 ^ { - 2 }$ and annealed by dividing by 10 every 20 epochs. We tried both regular SGD as well as Adam Kingma & Ba (2014), but chose SGD as it resulted in marginally better performance. The SimpleConvNet has batch normalization layers but we use no dropout.
+
+For one experiment, we dedicate a special “PASS” action to allow the agents to skip layers during training which leaves the current state unchanged (routing-all-fc recurrent/+PASS). A detailed description of the PASS action is provided in the Appendix in Section 7.2.
+
+All data are presented in Table 2 in the Appendix.
+
+In the first experiment, shown in Figure 4, we compare different RL training algorithms on CIFARMTL. We compare five algorithms: MARL:WPL; a single agent REINFORCE learner with a separate approximation function per layer; an agent-per-task REINFORCE learner which maintains a separate approximation function for each layer; an agent-per-task Q learner with a separate approximation function per layer; and an agent-per-task Q learner with a separate table for each layer. The best performer is the WPL algorithm which outperforms the nearest competitor, tabular Q-Learning by about $4 \%$ . We can see that (1) the WPL algorithm works better than a similar vanilla PG, which has trouble learning; (2) having multiple agents works better than having a single agent; and (3) the tabular versions, which just use the task and depth to make their predictions, work better here than the approximation versions, which all use the representation vector in addition predict the next action.
+
+The next experiment compares the best performing algorithm WPL against other routing approaches, including the already introduced REINFORCE: single agent (for which WPL is not applicable). All of these algorithms route the full-connected layers of the SimpleConvNet using the layering approach we discussed earlier. To make the next comparison clear we rename MARL:WPL to routingall- $f c$ in Figure 5 to reflect the fact that it routes all the fully connected layers of the SimpleConvNet, and rename REINFORCE: single agent to routing-all-fc single agent. We compare against several other approaches. One approach, routing-all-fc-recurrent/+PASS, has the same setup as routing-all$f c$ , but does not constrain the router to pick only from layer 0 function blocks at depth 0, etc. It is allowed to choose any function block from two of the layers (since the first two routed layers have identical input and output dimensions; the last is the classification layer). Another approach, soft-mixture- $- f c$ , is a soft version of the router architecture. This soft version uses the same function blocks as the routed version, but replaces the hard selection with a trained softmax attention (see the discussion below on cross-stitch networks for the details). We also compare against the single agent architecture shown in 3(a) called routing-all-fc single agent and the dispatched architecture shown in Figure 3(c) called routing-all-fc dispatched. Neither of these approached the performance of the per-task agents. The best performer by a large margin is routing-all-fc, the fully routed WPL algorithm.
+
+
+Figure 4: Influence of the RL algorithm on CIFAR-MTL. Detailed descriptions of the implementation each approach can be found in the Appendix in Section 7.3.
+
+
+Figure 5: Comparison of Routing Architectures on CIFAR-MTL. Implementation details of each approach can be found in the Appendix in Section 7.3.
+
+We next compare routing-all-fc on different domains against the cross-stitch networks of Misra et al.
+(2016) and two challenging baselines: task specific-1-fc and task specific-all-fc, described below.
+
+Cross-stitch networks Misra et al. (2016) are a kind of linear-combination model for multi-task learning. They maintain one model per task with a shared input layer, and “cross stitch” connection layers, which allow sharing between tasks. Instead of selecting a single function block in the next layer to route to, a cross-stitch network routes to all the function blocks simultaneously, with the input for a function block all the function blocks of l $i$ inyer r . $l$ given That is: the activations com, for learned weights d byand $l - 1$ $\begin{array} { r } { \operatorname* { i n p u t } _ { l i } = \sum _ { j = 1 } ^ { k } w _ { i j } ^ { l } v _ { l - 1 , j } } \end{array}$ $w _ { i j } ^ { l }$ layer activations $v _ { l - 1 , j }$ . For our experiments, we add a cross-stitch layer to each of the routed layers of SimpleConvNet. We additional compare to a similar “soft routing” version soft-mixture- $f c$ in Figure 5. Soft-routing uses a softmax to normalize the weights used to combine the activations of previous layers and it shares parameters for a given layer so that $\mathbf { w _ { i } ^ { l } } = \mathbf { w _ { i ^ { \prime } } ^ { l } }$ for all $i , i ^ { \prime } , l$ .
+
+
+Figure 6: Results on domain CIFAR-MTL
+
+
+Figure 7: Results on domain MIN-MTL (mini ImageNet)
+
+The task-specific-1-fc baseline has a separate last fully connected layer for each task and shares the rest of the layers for all tasks. The task specific-all-fc baseline has a separate set of all the fully connected layers for each task. These baseline architectures allow considerable sharing of parameters but also grant the network private parameters for each task to avoid interference. However, unlike routing networks, the choice of which parameters are shared for which tasks, and which parameters are task-private is made statically in the architecture, independent of task.
+
+The results are shown in Figures 6, 7, and 8. In each case the routing net routing-all-fc performs consistently better than the cross-stitch networks and the baselines. On CIFAR-MTL, the routing net beats cross-stitch networks by $7 \%$ and the next closest baseline task-specific-1-fc by $11 \%$ . On MIN-MTL, the routing net beats cross-stitch networks by about $2 \%$ and the nearest baseline taskspecific- ${ \mathbf { } } I { \mathbf { - } } f c$ by about $6 \%$ . We surmise that the results are better on CIFAR-MTL because the task instances have more in common whereas the MIN-MTL tasks are randomly constructed, making sharing less profitable.
+
+On MNIST-MTL the random baseline is $90 \%$ . We experimented with several learning rates but were unable to get the cross-stitch networks to train well here. Routing nets beats the cross-stitch networks by $9 \%$ and the nearest baseline (task-specific-all- $f c$ ) by $3 \%$ . The soft version also had trouble learning on this dataset.
+
+In all these experiments routing makes a significant difference over both cross-stitch networks and the baselines and we conclude that a dynamic policy which learns the function blocks to compose on a per-task basis yields better accuracy and sharper convergence than simple static sharing baselines or a soft attention approach.
+
+In addition, router training is much faster. On CIFAR-MTL for example, training time on a stable compute cluster was reduced from roughly 38 hours to 5.6, an $85 \%$ improvement. We have conducted a set of scaling experiments to compare the training computation of routing networks and cross-stitch networks trained with 2, 3, 5, and 10 function blocks. The results are shown in the appendix in Figure 15. Routing networks consistently perform better than cross-stitch networks and the baselines across all these problems. Adding function blocks has no apparent effect on the computation involved in training routing networks on a dataset of a given size. On the other hand, cross-stitch networks has a soft routing policy that scales computation linearly with the number of function blocks. Because the soft policy backpropagates through all function blocks and the hard routing policy only backpropagates through the selected block, the hard policy can much more easily scale to many task learning scenarios that require many diverse types of functional primitives.
+
+To explore why the multi-agent approach seems to do better than the single-agent, we manually compared their policy dynamics for several CIFAR-MTL examples. For these experiments $\rho = 0 . 0$ so there is no collaboration reward which might encourage less diversity in the agent choices. In the cases we examined we found that the single agent often chose just 1 or 2 function blocks at each depth, and then routed all tasks to those. We suspect that there is simply too little signal available to the agent in the early, random stages, and once a bias is established its decisions suffer from a lack of diversity.
+
+
+Figure 8: Results on domain MNIST-MTL
+
+The routing network on the other hand learns a policy which, unlike the baseline static models, partitions the network quite differently for each task, and also achieves considerable diversity in its choices as can be seen in Figure 11. This figure shows the routing decisions made over the whole MNIST MTL dataset. Each task is labeled at the top and the decisions for each of the three routed layers are shown below. We believe that because the routing network has separate policies for each task, it is less sensitive to a bias for one or two function blocks and each agent learns more independently what works for its assigned task.
+
+
+Figure 9: The Policies of all Agents for the first function block layer for the first 100 samples of each task of MNIST-MTL
+
+
+Figure 10: The Probabilities of all Agents of taking Block 7 for the first 100 samples of each task (totalling 1000 samples) of MNIST-MTL
+
+# 5 QUALITATIVE RESULTS
+
+To better understand the agent interaction we have created several views of the policy dynamics. First, in Figure 9, we chart the policy over time for the first decision. Each rectangle labeled $T _ { i }$ on the left represents the evolution of the agent’s policy for that task. For each task, the horizontal axis is number of samples per task and the vertical axis is actions (decisions). Each vertical slice shows the probability distribution over actions after having seen that many samples of its task, with darker shades indicating higher probability. From this picture we can see that, in the beginning, all task agents have high entropy. As more samples are processed each agent develops several candidate function blocks to use for its task but eventually all agents converge to close to $100 \%$ probability for one particular block. In the language of games, the agents find a pure strategy for routing.
+
+In the next view of the dynamics, we pick one particular function block (block 7) and plot the probability, for each agent, of choosing that block over time. The horizontal axis is time (sample) and the vertical axis is the probability of choosing block 7. Each colored curve corresponds to a different task agent. Here we can see that there is considerable oscillation over time until two agents, pink and green, emerge as the “victors” for the use of block 7 and each assign close to $100 \%$ probability for choosing it in routing their respective tasks. It is interesting to see that the eventual winners, pink and green, emerge earlier as well as strongly interested in block 7. We have noticed this pattern in the analysis of other blocks and speculate that the agents who want to use the block are being pulled away from their early Nash equilibrium as other agents try to train the block away.
+
+
+Figure 11: An actual routing map for MNIST-MTL.
+
+Finally, in Figure 11 we show a map of the routing for MNIST-MTL. Here tasks are at the top and each layer below represents one routing decision. Conventional wisdom has it that networks will benefit from sharing early, using the first layers for common representations, diverging later to accommodate differences in the tasks. This is the setup for our baselines. It is interesting to see that this is not what the network learns on its own. Here we see that the agents have converged on a strategy which first uses 7 function blocks, then compresses to just 4, then again expands to use 5. It is not clear if this is an optimal strategy but it does certainly give improvement over the static baselines.
+
+# 6 FUTURE WORK
+
+We have presented a general architecture for routing and multi-agent router training algorithm which performs significantly better than cross-stitch networks and baselines and other single-agent approaches. The paradigm can easily be applied to a state-of-the-art network to allow it to learn to dynamically adjust its representations.
+
+As described in the section on Routing Networks, the state space to be learned grows exponentially with the depth of the routing, making it challenging to scale the routing to deeper networks in their entirety. It would be interesting to try hierarchical RL techniques (Barto & Mahadevan (2003)) here.
+
+Our most successful experiments have used the multi-agent architecture with one agent per task, trained with the Weighted Policy Learner algorithm (Algorithm 3). Currently this approach is tabular but we are investigating ways to adapt it to use neural net approximators.
+
+We have also tried routing networks in an online setting, training over a sequence of tasks for few shot learning. To handle the iterative addition of new tasks we add a new routing agent for each and overfit it on the few shot examples while training the function modules with a very slow learning rate. Our results so far have been mixed, but this is a very useful setting and we plan to return to this problem.
+
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+Jessica B Hamrick, Andrew J Ballard, Razvan Pascanu, Oriol Vinyals, Nicolas Heess, and Peter W Battaglia. Metacontrol for adaptive imagination-based optimization. ICLR, 2017.
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+Robert A Jacobs, Michael I Jordan, Steven J Nowlan, and Geoffrey E Hinton. Adaptive mixtures of local experts. Neural computation, 3(1):79–87, 1991.
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+Michael I Jordan and Robert A Jacobs. Hierarchical mixtures of experts and the em algorithm. Neural computation, 6(2):181–214, 1994.
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+Diederik P. Kingma and Jimmy Ba. Adam: A method for stochastic optimization. CoRR, abs/1412.6980, 2014. URL http://arxiv.org/abs/1412.6980.
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+Alex Krizhevsky. Learning multiple layers of features from tiny images. 2009.
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+Yann Lecun, Lon Bottou, Yoshua Bengio, and Patrick Haffner. Gradient-based learning applied to document recognition. In Proceedings of the IEEE, pp. 2278–2324, 1998.
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+Lanlan Liu and Jia Deng. Dynamic deep neural networks: Optimizing accuracy-efficiency trade-offs by selective execution. arXiv preprint arXiv:1701.00299, 2017.
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+Mason McGill and Pietro Perona. Deciding how to decide: Dynamic routing in artificial neural networks. International Conference on Machine Learning, 2017.
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+Risto Miikkulainen, Jason Liang, Elliot Meyerson, Aditya Rawal, Dan Fink, Olivier Francon, Bala Raju, Arshak Navruzyan, Nigel Duffy, and Babak Hodjat. Evolving deep neural networks. arXiv preprint arXiv:1703.00548, 2017.
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+Ishan Misra, Abhinav Shrivastava, Abhinav Gupta, and Martial Hebert. Cross-stitch networks for multi-task learning. In Proceedings of the IEEE Conference on Computer Vision and Pattern Recognition, pp. 3994–4003, 2016.
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+Tsendsuren Munkhdalai and Hong Yu. Meta networks. International Conference on Machine Learning, 2017.
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+Janarthanan Rajendran, P. Prasanna, Balaraman Ravindran, and Mitesh M. Khapra. ADAAPT: attend, adapt, and transfer: Attentative deep architecture for adaptive policy transfer from multiple sources in the same domain. ICLR, abs/1510.02879, 2017. URL http://arxiv.org/abs/ 1510.02879.
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+Sachin Ravi and Hugo Larochelle. Optimization as a model for few-shot learning. ICLR, 2017.
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+Christopher John Cornish Hellaby Watkins. Learning from delayed rewards. PhD thesis, King’s College, Cambridge, 1989.
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+Barret Zoph and Quoc V Le. Neural architecture search with reinforcement learning. ICLR, 2017.
+
+# 7 APPENDIX
+
+# 7.1 IMPACT OF RHO
+
+
+Figure 12: Influence of the “collaboration reward” $\rho$ on CIFAR-MTL. The architecture is routingall-fc with WPL routing agents.
+
+
+Figure 13: Comparison of per-task training cost for cross-stitch and routing networks. We add a function block per task and normalize the training time per epoch by dividing by the number of tasks to isolate the effect of adding function blocks on computation.
+
+# 7.2 THE PASS ACTION
+
+When routing networks, some resulting sets of function blocks can be applied repeatedly. While there might be other constraints, the prevalent one is dimensionality - input and output dimensions need to match. Applied to the SimpleConvNet architecture used throughout the paper, this means that of the fc layers - (convolution $ 4 8$ ), $^ { \prime } 4 8 \to 4 8$ ), $( 4 8 \to \# c l a s s e s )$ ), the middle transformation can be applied an arbitrary number of times. In this case, the routing network becomes fully recurrent and the PASS action is applicable. This allows the network to shorten the recursion depth.
+
+# 7.3 OVERVIEW OF IMPLEMENTATIONS
+
+We have tested 9 different implementation variants of the routing architectures. The architectures are summarized in Tables 3 and 4. The columns are:
+
+#Agents refers to how many agents are used to implement the router. In most of the experiments, each router consists of one agent per task. However, as described in 3.1, there are implementations with 1 and #tasks $^ { + 1 }$ agents.
+
+Table 2: Numeric results (in $\%$ accuracy) for Figures 4 through 8
+
+ | Epoch | 1 | 5 | 10 | 20 | 50 | 100 |
| RL (Figure 4) | REINFORCE: approx | 20 | 20 | 20 | 20 | 20 | 20 | |
| Qlearning: approx | 20 | 20 | 20 | 20 | | 24 | 25 |
| Qlearning:table | 20 | 36 | 47 | 50 | | 55 | 55 |
| MARL-WPL: table | 31 | 53 | 57 | 58 | | 60 | 60 |
| arch (Figure 5) | routing-all-fc | 31 | 53 | 57 | | 58 | 60 | 60 |
| routing-all-fc recursive | 31 | 43 | 45 | | 48 | 48 | 46 |
| routing-all-fc dispatched | 20 | 23 | 28 | | 37 | 42 | 41 |
| soft mixture-all-fc | 20 | 24 | 27 | | 30 | 32 | 35 |
| routing-all-fc single agent | 20 | 23 | 33 | | 42 | 44 | 44 |
| CIFAR (Figure 6 | routing-all-fc | 31 | 53 | 57 | | 58 | 60 | 60 |
| task specific-all-fc | 21 | 29 | 33 | | 36 | 42 | 42 |
| task specific-1-fc | 27 | 34 | 39 | | 42 | 48 | 49 |
| cross stitch-all-fc | 26 | 37 | 42 | | 49 | 52 | 53 |
| MIN (Figure 7) | routing-all-fc | 34 | 54 | 57 | | 55 | 58 | 57 |
| task specific-all-fc | 22 | 30 | 37 | | 43 | 47 | 48 |
| task specific-1fc | 29 | 38 | 43 | | 46 | 51 | 51 |
| cross-stitch-all-fc | 29 | 41 | 48 | | 53 | | 55 |
| MNIST (Figure : 8) | routing-all-fc | | | | | | 56 | 99 |
| task specific-all-fc | 90 | 90 | 98 | | 99 | 99 | |
| task specific-1fc | 90 90 | 91 90 | 94 91 | | 95 | 95 | 96 95 |
| soft mixture-all-fc | 90 | 90 | 90 | | 92 90 | 93 90 | 90 |
| cross-stitch-all-fc | | | | | 90 | 90 | |
| | 90 | 90 | 90 | | | | 90 |
+
+
+Figure 15: Results on the first $n$ tasks of CIFAR-MTL
+
+Table 3: Implementation details for Figure 4. All approx functions are 2 layer MLPs with a hidden dim of 64.
+
+| Name | Num Agents | Policy Representation | Part of State =(v,t,d) Used |
| MARL:WPL | Num Tasks | Tabular (num layers x num function blocks) | t,d |
| REINFORCE | Num Tasks | Vector(numlayers)ofapprox functions | v,t,d |
| Q-Learning | Num Tasks | Vector (num layers) of approx functions | v,t,d |
| Q-Learning | Num Tasks | Tabular (num layers x num function blocks) | t,d |
+
+Table 4: Implementation details for Figure 5. All approx functions are 2 layer MLP’s with a hidden dim of 64.
+
+| Name | Num Agents | Policy Representation | Part of State = (v,t,d) Used |
| routing-all-fc | Num Tasks | Tabular (numlayers X num function blocks) | t,d |
| routing-all-fc non-layered | Num Tasks | tabular (num layers X num function blocks) | t,d |
| soft-routing-all-fc | Num Tasks | Vector(num layers) of appox functions | v,t,d |
| dispatched-routing-all-fc | Num Tasks +1 | Vector (num layers) of appox functions+ dispatcher | v,td |
| single-agent-routing-all-fc | 1 | Vector (num layers)of approx functions) | v,t,d |
+
+Policy Representation There are two dominant representation variations, as described in 3.1. In the first, the policy is stored as a table. Since the table needs to store values for each of the different layers of the routing network, it is of size num layers $\times$ num actions. In the second, it is represented either as vector of MLP’s with a hidden layer of dimension 64, one for each layer of the routing network. In this case the input to the MLP is the representation vector $v$ concatenated with a one-hot representation of the task identifier.
+
+Policy Input describes which parts of the state are used in the decision of the routing action. For tabular policies, the task is used to index the agent responsible for handling that task. Each agent then uses the depth as a row index into into the table. For approximation-based policies, there are two variations. For the single agent case the depth is used to index an approximation function which takes as input concat $_ v$ , one-hot $\mathbf { \eta } ^ { ( t ) }$ ). For the multi-agent (non-dispatched) case the task label is used to index the agent and then the depth is used to index the corresponding approximation function for that depth, which is given concat(v, one-hot $\mathbf { \rho } ( t )$ ) as input. In the dispatched case, the dispatcher is given concat $\dot { \boldsymbol { v } }$ , one-hot(t)) and predicts an agent index. That agent uses the depth to find the approximation function for that depth which is then given concat( $\boldsymbol { v }$ , one-hot $\mathbf { \Psi } ( t ) .$ ) as input.
+
+# 7.4 EXPLANATION OF THE WEIGHTED POLICY LEARNER (WPL) ALGORITHM
+
+The WPL algorithm is a multi-agent policy gradient algorithm designed to help dampen policy oscillation and encourage convergence. It does this by slowly scaling down the learning rate for an agent after a gradient change in that agents policy. It determines when there has been a gradient change by using the difference between the immediate reward and historical average reward for the action taken. Depending on the sign of the gradient the algorithm is in one of two scenarios. If the gradient is positive then it is scaled by $1 - \pi ( a _ { i } )$ . Over time if the gradient remains positive it will cause $\pi ( \boldsymbol { a } _ { i } )$ to increase and so $1 - \pi ( a _ { i } )$ will go to 0, slowing the learning. If the gradient is negative then it is scaled by $\pi ( \boldsymbol { a } _ { i } )$ . Here again if the gradient remains negative over time it will cause $\pi ( \boldsymbol { a } _ { i } )$ to decrease eventually to 0, slowing the learning again. Slowing the learning after gradient changes dampens the policy oscillation and helps drive the policies towards convergence.
\ No newline at end of file
diff --git a/parse/train/ry8dvM-R-/ry8dvM-R-_content_list.json b/parse/train/ry8dvM-R-/ry8dvM-R-_content_list.json
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index 0000000000000000000000000000000000000000..4f24ebf1d27e5e70ba5badaaf87cc92cc650e64b
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+++ b/parse/train/ry8dvM-R-/ry8dvM-R-_content_list.json
@@ -0,0 +1,1733 @@
+[
+ {
+ "type": "text",
+ "text": "ROUTING NETWORKS: ADAPTIVE SELECTION OF NON-LINEAR FUNCTIONS FOR MULTI-TASK LEARNING ",
+ "text_level": 1,
+ "bbox": [
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+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "Clemens Rosenbaum \nCollege of Information and Computer Sciences \nUniversity of Massachusetts Amherst \n140 Governors Dr., Amherst, MA 01003 \ncgbr@cs.umass.edu ",
+ "bbox": [
+ 184,
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+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "Tim Klinger & Matthew Riemer IBM Research AI 1101 Kitchawan Rd, Yorktown Heights, NY 10598 {tklinger,mdriemer}@us.ibm.com ",
+ "bbox": [
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+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "ABSTRACT ",
+ "text_level": 1,
+ "bbox": [
+ 454,
+ 301,
+ 544,
+ 316
+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "Multi-task learning (MTL) with neural networks leverages commonalities in tasks to improve performance, but often suffers from task interference which reduces the benefits of transfer. To address this issue we introduce the routing network paradigm, a novel neural network and training algorithm. A routing network is a kind of self-organizing neural network consisting of two components: a router and a set of one or more function blocks. A function block may be any neural network – for example a fully-connected or a convolutional layer. Given an input the router makes a routing decision, choosing a function block to apply and passing the output back to the router recursively, terminating when a fixed recursion depth is reached. In this way the routing network dynamically composes different function blocks for each input. We employ a collaborative multi-agent reinforcement learning (MARL) approach to jointly train the router and function blocks. We evaluate our model against cross-stitch networks and shared-layer baselines on multi-task settings of the MNIST, mini-imagenet, and CIFAR-100 datasets. Our experiments demonstrate a significant improvement in accuracy, with sharper convergence. In addition, routing networks have nearly constant per-task training cost while cross-stitch networks scale linearly with the number of tasks. On CIFAR100 (20 tasks) we obtain cross-stitch performance levels with an $8 5 \\%$ reduction in training time. ",
+ "bbox": [
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+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "1 INTRODUCTION ",
+ "text_level": 1,
+ "bbox": [
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+ 637
+ ],
+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "Multi-task learning (MTL) is a paradigm in which multiple tasks must be learned simultaneously. Tasks are typically separate prediction problems, each with their own data distribution. In an early formulation of the problem, (Caruana, 1997) describes the goal of MTL as improving generalization performance by “leveraging the domain-specific information contained in the training signals of related tasks.” This means a model must leverage commonalities in the tasks (positive transfer) while minimizing interference (negative transfer). In this paper we propose a new architecture for MTL problems called a routing network, which consists of two trainable components: a router and a set of function blocks. Given an input, the router selects a function block from the set, applies it to the input, and passes the result back to the router, recursively up to a fixed recursion depth. If the router needs fewer iterations then it can decide to take a PASS action which leaves the current state unchanged. Intuitively, the architecture allows the network to dynamically self-organize in response to the input, sharing function blocks for different tasks when positive transfer is possible, and using separate blocks to prevent negative transfer. ",
+ "bbox": [
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+ "page_idx": 0
+ },
+ {
+ "type": "text",
+ "text": "The architecture is very general allowing many possible router implementations. For example, the router can condition its decision on both the current activation and a task label or just one or the other. It can also condition on the depth (number of router invocations), filtering the function module choices to allow layering. In addition, it can condition its decision for one instance on what was historically decided for other instances, to encourage re-use of existing functions for improved compression. The function blocks may be simple fully-connected neural network layers or whole networks as long as the dimensionality of each function block allows composition with the previous function block choice. They needn’t even be the same type of layer. Any neural network or part of a network can be “routed” by adding its layers to the set of function blocks, making the architecture applicable to a wide range of problems. Because the routers make a sequence of hard decisions, which are not differentiable, we use reinforcement learning (RL) to train them. We discuss the training algorithm in Section 3.1, but one way we have modeled this as an RL problem is to create a separate RL agent for each task (assuming task labels are available in the dataset). Each such task agent learns its own policy for routing instances of that task through the function blocks. ",
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+ "text": "To evaluate we have created a “routed” version of the convnet used in (Ravi & Larochelle, 2017) and use three image classification datasets adapted for MTL learning: a multi-task MNIST dataset that we created, a Mini-imagenet data split as introduced in (Vinyals et al., 2016), and CIFAR-100 (Krizhevsky, 2009), where each of the 20 label superclasses are treated as different tasks.1 We conduct extensive experiments comparing against cross-stitch networks (Misra et al., 2016) and the popular strategy of joint training with layer sharing as described in (Caruana, 1997). Our results indicate a significant improvement in accuracy over these strong baselines with a speedup in convergence and often orders of magnitude improvement in training time over cross-stitch networks. ",
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+ "type": "text",
+ "text": "2 RELATED WORK ",
+ "text_level": 1,
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+ {
+ "type": "text",
+ "text": "Work on multi-task deep learning (Caruana, 1997) traditionally includes significant hand design of neural network architectures, attempting to find the right mix of task-specific and shared parameters. For example, many architectures share low-level features like those learned in shallow layers of deep convolutional networks or word embeddings across tasks and add task-specific architectures in later layers. By contrast, in routing networks, we learn a fully dynamic, compositional model which can adjust its structure differently for each task. ",
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+ "text": "Routing networks share a common goal with techniques for automated selective transfer learning using attention (Rajendran et al., 2017) and learning gating mechanisms between representations (Stollenga et al., 2014), (Misra et al., 2016), (Ruder et al., 2017). In the latter two papers, experiments are performed on just 2 tasks at a time. We consider up to 20 tasks in our experiments and compare directly to (Misra et al., 2016). ",
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+ "text": "Our work is also related to mixtures of experts architectures (Jacobs et al., 1991), (Jordan & Jacobs, 1994) as well as their modern attention based (Riemer et al., 2016) and sparse (Shazeer et al., 2017) variants. The gating network in a typical mixtures of experts model takes in the input and chooses an appropriate weighting for the output of each expert network. This is generally implemented as a soft mixture decision as opposed to a hard routing decision, allowing the choice to be differentiable. Although the sparse and layer-wise variant presented in (Shazeer et al., 2017) does save some computational burden, the proposed end-to-end differentiable model is only an approximation and doesn’t model important effects such as exploration vs. exploitation tradeoffs, despite their impact on the system. Mixtures of experts have recently been considered in the transfer learning setting (Aljundi et al., 2016), however, the decision process is modelled by an autoencoder-reconstructionerror-based heuristic and is not scaled to a large number of tasks. ",
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+ "type": "text",
+ "text": "In the use of dynamic representations, our work is also related to single task and multi-task models that learn to generate weights for an optimal neural network (Ha et al., 2016), (Ravi & Larochelle, 2017), (Munkhdalai & Yu, 2017). While these models are very powerful, they have trouble scaling to deep models with a large number of parameters (Wichrowska et al., 2017) without tricks to simplify the formulation. In contrast, we demonstrate that routing networks can be applied to create dynamic network architectures for architectures like convnets by routing some of their layers. ",
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+ "type": "text",
+ "text": "Our work extends an emerging line of recent research focused on automated architecture search. In this work, the goal is to reduce the burden on the practitioner by automatically learning black box algorithms that search for optimal architectures and hyperparameters. These include techniques based on reinforcement learning (Zoph & Le, 2017), (Baker et al., 2017), evolutionary algorithms (Miikkulainen et al., 2017), approximate random simulations (Brock et al., 2017), and adaptive growth (Cortes et al., 2016). To the best of our knowledge we are the first to apply this idea to multitask learning. Our technique can learn to construct a very general class of architectures without the need for human intervention to manually choose which parameters will be shared and which will be kept task-specific. ",
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+ "text": "Also related to our work is the literature on minimizing computation cost for single-task problems by conditional routing. These include decisions trained with REINFORCE (Denoyer & Gallinari, 2014), (Bengio et al., 2015), (Hamrick et al., 2017), Q Learning (Liu & Deng, 2017), and actor-critic methods (McGill & Perona, 2017). Our approach differs however in the introduction of several novel elements. Specifically, our work explores the multi-task learning setting, it uses a multi-agent reinforcement learning training algorithm, and it is structured as a recursive decision process. ",
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+ "text": "There is a large body of related work which focuses on continual learning, in which tasks are presented to the network one at a time, potentially over a long period of time. One interesting recent paper in this setting, which also uses the notion of routes (“paths”), but uses evolutionary algorithms instead of RL is Fernando et al. (2017). ",
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+ "text": "While a routing network is a novel artificial neural network formulation, the high-level idea of task specific “routing” as a cognitive function is well founded in biological studies and theories of the human brain (Gurney et al., 2001), (Buschman & Miller, 2010), (Stocco et al., 2010). ",
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+ "type": "text",
+ "text": "3 ROUTING NETWORKS",
+ "text_level": 1,
+ "bbox": [
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+ },
+ {
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+ "img_path": "images/beef216d6b096bdb3000462f2c4a9f74cd80f741b1d7085a3f1e07c21aef2807.jpg",
+ "image_caption": [
+ "Figure 1: Routing (forward) Example "
+ ],
+ "image_footnote": [],
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+ "text": "A routing network consists of two components: a router and a set of function blocks, each of which can be any neural network layer. The router is a function which selects from among the function blocks given some input. Routing is the process of iteratively applying the router to select a sequence of function blocks to be composed and applied to the input vector. This process is illustrated in Figure 1. The input to the routing network is an instance to be classified $( v , \\dot { t } ) , v \\in \\mathbb { R } ^ { d }$ is a representation vector of dimension $d$ and $t$ is an integer task identifier. The router is given $v , t$ and a depth $( = 1 )$ , the depth of the recursion, and selects from among a set of function block choices available at depth 1, $\\left\\{ f _ { 1 3 } , f _ { 1 2 } , f _ { 1 1 } \\right\\}$ , picking $f _ { 1 3 }$ which is indicated with a dashed line. $f _ { 1 3 }$ is applied to the input $( v , t )$ to produce an output activation. The router again chooses a function block from those available at depth 2 (if the function blocks are of different dimensions then the router is constrained to select dimensionally matched blocks to apply) and so on. Finally the router chooses a function block from the last (classification) layer function block set and produces the classification $\\hat { y }$ . ",
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+ "text": "Algorithm 1 gives the routing procedure in detail. The algorithm takes as input a vector $v$ , task label $t$ and maximum recursion depth $n$ . It iterates $n$ times choosing a function block on each iteration and applying it to produce an output representation vector. A special PASS action (see Appendix Section 7.2 for details) just skips to the next iteration. Some experiments don’t require a task label and in that case we just pass a dummy value. For simplicity we assume the algorithm has access to the router function and function blocks and don’t include them explicitly in the input. The router decision function router : $\\mathbb { R } ^ { d } \\times \\mathbb { Z } ^ { + } \\times \\mathbb { Z } ^ { + } $ $\\{ 1 , 2 , \\ldots , k , P A S S \\}$ (for $d$ the input representation dimension and $k$ the number of function blocks) maps the current representation $v$ , task label $t \\in \\mathbb { Z } ^ { + }$ , and current depth $\\bar { i } \\in \\mathbb { Z } ^ { + }$ to the index of the function block to route next in the ordered set function block. ",
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+ "type": "text",
+ "text": "Algorithm 1: Routing Algorithm ",
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+ "text": "input : $x , t , n$ : $x \\in \\mathbb { R } ^ { d }$ , $d$ the representation dim; $t$ integer task id; $n$ max depth output: $v$ - the vector result of applying the composition of the selected functions to the input $x$ 1 $v x$ 2 for $i$ in $1 . . . n$ do 3 $\\boldsymbol { a } \\gets \\mathbf { r o u t e r } ( \\boldsymbol { x } , t , i )$ 4 if $a \\neq P A S S$ then 5 $x \\gets$ function blocka(x) 6 return $\\nu$ ",
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+ "text": "If the routing network is run for $d$ invocations then we say it has depth $d$ . For $N$ function blocks a routing network run to a depth $d$ can select from $N ^ { d }$ distinct trainable functions (the paths in the network). Any neural network can be represented as a routing network by adding copies of its layers as routing network function blocks. We can group the function blocks for each network layer and constrain the router to pick from layer 0 function blocks at depth 0, layer 1 blocks at depth 1, and so on. If the number of function blocks differs from layer to layer in the original network, then the router may accommodate this by, for example, maintaining a separate decision function for each depth. ",
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+ "text": "3.1 ROUTER TRAINING USING RL ",
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+ "text": "Algorithm 2: Router-Trainer: Training of a Routing Network. ",
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+ "text": "input: A dataset $D$ of samples $( v , t , y )$ , $v$ the input representation, $t$ an integer task label, $y$ a ground-truth target label 1 for each sample $s = ( v , t , y ) \\in D$ do 2 Do a forward pass through the network, applying Algorithm 1 to sample $s$ . Store a trace $T = ( S , A , R , r _ { f i n a l } )$ , where $S =$ sequence of visited states $\\left( { { s } _ { i } } \\right)$ ; $A =$ sequence of actions taken $\\left( { { a } _ { i } } \\right)$ ; $R =$ sequence of immediate action rewards $( r _ { i } )$ for action $a _ { i }$ ; and the final reward rf inal. The last output as the network’s prediction $\\hat { y }$ and the final reward $r _ { f i n a l }$ is $+ 1$ if the prediction $\\hat { y }$ is correct; $^ { - 1 }$ if not. 3 Compute the loss $\\mathcal { L } ( \\hat { y } , y )$ between prediction $\\hat { y }$ and ground truth $y$ and backpropagate along the function blocks on the selected route to train their parameters. 4 Use the trace $T$ to train the router using the desired RL training algorithm. ",
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+ "text": "We can view routing as an RL problem in the following way. The states of the MDP are the triples $( v ,$ $t , i )$ where $v \\in \\mathbb { R } ^ { d }$ is a representation vector (initially the input), $t$ is an integer task label for $v$ , and $i$ is the depth (initially 1). The actions are function block choices (and PASS) in $\\{ 1 , \\dots k , P A S S \\}$ for $k$ the number of function blocks. Given a state $s = ( \\boldsymbol { v } , t , i )$ , the router makes a decision about which action to take. For the non-PASS actions, the state is then updated $s ^ { \\prime } = ( v ^ { \\prime } , t , i + 1 )$ and the process continues. The PASS action produces the same representation vector again but increments the depth, so $s ^ { \\prime } = ( v , t , i + 1 )$ . We train the router policy using a variety of RL algorithms and settings which we will describe in detail in the next section. ",
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+ "text": "Regardless of the RL algorithm applied, the router and function blocks are trained jointly. For each instance we route the instance through the network to produce a prediction $\\hat { y }$ . Along the way we record a trace of the states $s _ { i }$ and the actions $a _ { i }$ taken as well as an immediate reward $r _ { i }$ for action $a _ { i }$ . When the last function block is chosen, we record a final reward which depends on the prediction $\\hat { y }$ and the true label $y$ . ",
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+ "text": "$$\n\\begin{array} { r l r } & { \\left[ \\frac { \\hat { \\rho } _ { 1 3 } ^ { \\varDelta } } { \\int \\ d _ { 1 3 } } \\right] \\times \\frac { \\hat { \\rho } _ { 2 3 } ^ { \\varDelta } } { - \\left( - \\frac { 1 } { 2 } - 1 \\right) ! } = \\frac { \\hat { \\rho } _ { 2 2 } ^ { \\varDelta } } { - \\left( - \\frac { 1 } { 2 } - 1 \\right) ! } - \\left[ \\frac { \\hat { \\rho } _ { 3 2 } ^ { \\varDelta } } { 2 - 1 } - \\mathcal { L } ( \\hat { y } , y ) \\right] \\stackrel { \\mathrm { R o u t i n g ~ E x a m p l e ~ ( s e e ~ F i g u r e ~ 1 ) } } { - \\left( \\frac { 1 } { \\sqrt { 3 } } \\right) ! } \\Longrightarrow } & \\\\ & a _ { 1 } \\ll - \\frac { + r _ { 1 } } { - \\left( - \\frac { 1 } { 2 } - 1 - a _ { 2 } \\right) + \\left( - \\frac { 1 } { 2 } - \\frac { 1 } { 2 } - 1 - a _ { 3 } \\right) + \\left( \\frac { + r _ { 3 } } { 2 } - \\frac { 1 } { \\sqrt { 3 } } - r _ { f i n a l } \\right. _ { + } . . . . . . . . . . . . . . . . } \\end{array}\n$$",
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+ "Figure 2: Training (backward) Example "
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+ "text": "We train the selected function blocks using SGD/backprop. In the example of Figure 1 this means computing gradients for $f _ { 3 2 }$ , $f _ { 2 1 }$ and $f _ { 1 3 }$ . We then use the computed trace to train the router using an RL algorithm. The high-level procedure is summarized in Algorithm 2 and illustrated in Figure 2. To keep the presentation uncluttered we assume the RL training algorithm has access to the router function, function blocks, loss function, and any specific hyper-parameters such as discount rate needed for the training and don’t include them explicitly in the input. ",
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+ "text": "3.1.1 REWARD DESIGN ",
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+ "text": "A routing network uses two kinds of rewards: immediate action rewards $r _ { i }$ given in response to an action $a _ { i }$ and a final reward $r _ { f i n a l }$ , given at the end of the routing. The final reward is a function of the network’s performance. For the classification problems focused on in this paper, we set it to $+ 1$ if the prediction was correct $( \\hat { y } = y )$ ), and $- 1$ otherwise. For other domains, such as regression domains, the negative loss $( - \\hat { \\cal L } ( \\hat { y } , y ) )$ could be used. ",
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+ "text": "We experimented with an immediate reward that encourages the router to use fewer function blocks when possible. Since the number of function blocks per-layer needed to maximize performance is not known ahead of time (we just take it to be the same as the number of tasks), we wanted to see whether we could achieve comparable accuracy while reducing the number of function blocks ever chosen by the router, allowing us to reduce the size of the network after training. We experimented with two such rewards, multiplied by a hyper-parameter $\\rho \\in [ 0 , 1 ]$ : the average number of times that block was chosen by the router historically and the average historical probability of the router choosing that block. We found no significant difference between the two approaches and use the average probability in our experiments. We evaluated the effect of $\\rho$ on final performance and report the results in Figure 12 in the appendix. We see there that generally $\\rho = 0 . 0$ (no collaboration reward) or a small value works best and that there is relatively little sensitivity to the choice in this range. ",
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+ "text": "3.1.2 RL ALGORITHMS ",
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+ "Figure 3: Task-based routing. $\\langle v a l u e , t a s k \\rangle$ is the input consisting of value, the partial evaluation of the previous function block (or input $x$ ) and the task label task. $\\alpha _ { i }$ is a routing agent; $\\alpha _ { d }$ is a dispatching agent. "
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+ "text": "To train the router we evaluate both single-agent and multi-agent RL strategies. Figure 3 shows three variations which we consider. In Figure 3(a) there is just a single agent which makes the routing decision. This is be trained using either policy-gradient (PG) or Q-Learning experiments. Figure 3(b) shows a multi-agent approach. Here there are a fixed number of agents and a hard rule which assigns the input instance to a an agent responsible for routing it. In our experiments we create one agent per task and use the input task label as an index to the agent responsible for routing that instance. Figure 3(c) shows a multi-agent approach in which there is an additional agent, denoted $\\alpha _ { d }$ and called a dispatching agent which learns to assign the input to an agent, instead of using a fixed rule. For both of these multi-agent scenarios we additionally experiment with a MARL algorithm called Weighted Policy Learner (WPL). ",
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+ "text": "We experiment with storing the policy both as a table and in form of an approximator. The tabular representation has the invocation depth as its row dimension and the function block as its column dimension with the entries containing the probability of choosing a given function block at a given depth. The approximator representation can consist of either one MLP that is passed the depth (represented in 1-hot), or a vector of $d$ MLPs, one for each decision/depth. ",
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+ "text": "Both the Q-Learning and Policy Gradient algorithms are applicable with tabular and approximation function policy representations. We use REINFORCE (Williams, 1992) to train both the approximation function and tabular representations. For Q-Learning the table stores the Q-values in the entries. We use vanilla Q-Learning (Watkins, 1989) to train tabular representation and train the approximators to minimize the $\\ell _ { 2 }$ norm of the temporal difference error. ",
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+ "text": "Implementing the router decision policy using multiple agents turns the routing problem into a stochastic game, which is a multi-agent extension of an MDP. In stochastic games multiple agents interact in the environment and the expected return for any given policy may change without any action on that agent’s part. In this view incompatible agents need to compete for blocks to train, since negative transfer will make collaboration unattractive, while compatible agents can gain by sharing function blocks. The agent’s (locally) optimal policies will correspond to the game’s Nash equilibrium 2 ",
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+ "text": "For routing networks, the environment is non-stationary since the function blocks are being trained as well as the router policy. This makes the training considerably more difficult than in the singleagent (MDP) setting. We have experimented with single-agent policy gradient methods such as REINFORCE but find they are less well adapted to the changing environment and changes in other agent’s behavior, which may degrade their performance in this setting. ",
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+ "text": "One MARL algorithm specifically designed to address this problem, and which has also been shown to converge in non-stationary environments, is the weighted policy learner (WPL) algorithm (Abdallah & Lesser, 2006), shown in Algorithm 3. WPL is a PG algorithm designed to dampen oscillation and push the agents to converge more quickly. This is done by scaling the gradient of the expected return for an action $a$ according the probability of taking that action $\\pi ( a )$ (if the gradient is positive) or $1 - { \\overset { - } { \\pi } } ( a )$ (if the gradient is negative). Intuitively, this has the effect of slowing down the learning rate when the policy is moving away from a Nash equilibrium strategy and increasing it when it approaches one. The full WPL algorithm is shown in Algorithm 3. It is assumed that the historical average return $\\hat { \\mathcal { R } } _ { i }$ for each action $a _ { i }$ is initialized to 0 before the start of training. The function simplex-projection projects the updated policy values to make it a valid probability distribution. The projection is defined as: $c l i p ( \\pi ) \\dot { / } \\sum ( c l i p ( \\pi ) )$ , where $c l i p ( x ) = \\operatorname* { m a x } ( 0 , m i n ( 1 , x ) )$ . The states $S$ in the trace are not used by the WPL algorithm. ",
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+ "text": "Algorithm 3: Weighted Policy Learner ",
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+ "text": "input : A trace $\\overline { { T = ( S , A , R , r _ { f i n a l } ) } }$ $n$ the maximum depth; $\\hat { \\mathcal { R } }$ , the historical average returns (initialized to 0 at the start of training); $\\gamma$ the discount factor ; and $\\lambda _ { \\pi }$ the policy learning rate output: An updated router policy $\\pi$ 1 for each action $a _ { i } \\in A$ do 2 $\\begin{array} { r } { \\mathcal { R } _ { i } r _ { f i n a l } + \\sum _ { j = i } ^ { n } \\gamma ^ { j - i } r _ { j } } \\end{array}$ 4 Update the average return: 5 $\\hat { \\mathcal R } _ { i } \\gets ( 1 - \\lambda _ { \\pi } ) \\hat { \\mathcal R } _ { i } + \\lambda _ { \\pi } \\mathcal R _ { i }$ 6 Compute the gradient: 7 $\\Delta ( a _ { i } ) \\gets \\mathcal { R } _ { i } - \\hat { \\mathcal { R } } _ { i }$ 8 Update the policy: 9 if $\\Delta ( a _ { i } ) < 0$ then 10 $\\begin{array} { r l } { | } & { { } \\dot { \\Delta } ( \\dot { a } _ { i } ) \\gets \\Delta ( a _ { i } ) ( 1 - \\pi ( a _ { i } ) ) } \\end{array}$ 11 else 12 $\\begin{array} { r l } & { \\dot { \\mathbf { \\bigcup } } \\Delta ( a _ { i } ) \\gets \\Delta ( a _ { i } ) ( \\pi ( a _ { i } ) ) } \\\\ & { \\pi \\gets \\mathrm { s i m p l e x – p r o j e c t i o n } ( \\pi + \\lambda _ { \\pi } \\Delta ) } \\end{array}$ 13 ",
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+ "text": "Details, including convergence proofs and more examples giving the intuition behind the algorithm, can be found in (Abdallah & Lesser, 2006). A longer explanation of the algorithm can be found in Section 7.4 in the appendix. The WPL-Update algorithm is defined only for the tabular setting. It is future work to adapt it to work with function approximators. ",
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+ "text": "As we have described it, the training of the router and function blocks is performed independently after computing the loss. We have also experimented with adding the gradients from the router choices $\\Delta ( a _ { i } )$ to those for the function blocks which produce their input. We found no advantage but leave a more thorough investigation for future work. ",
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+ "text": "4 QUANTITATIVE RESULTS ",
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+ "text": "We experiment with three datasets: multi-task versions of MNIST (MNIST-MTL) (Lecun et al., 1998), Mini-Imagenet (MIN-MTL) (Vinyals et al., 2016) as introduced by (Ravi & Larochelle, 2017), and CIFAR-100 (CIFAR-MTL) (Krizhevsky, 2009) where we treat the 20 superclasses as tasks. In the binary MNIST-MTL dataset, the task is to differentiate instances of a given class $c$ from non-instances. We create 10 tasks and for each we use 1k instances of the positive class $c$ and 1k each of the remaining 9 negative classes for a total of 10k instances per task during training, which we then test on 200 samples per task (2k samples in total). MIN-MTL is a smaller version of ImageNet (Deng et al., 2009) which is easier to train in reasonable time periods. For mini-ImageNet we randomly choose 50 labels and create tasks from 10 disjoint random subsets of 5 labels each chosen from these. Each label has 800 training instances and 50 testing instances – so 4k training and 250 testing instances per task. For all 10 tasks we have a total of 40k training instances. Finally, ",
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+ "text": "CIFAR-100 has coarse and fine labels for its instances. We follow existing work (Krizhevsky, 2009) creating one task for each of the 20 coarse labels and include 500 instances for each of the corresponding fine labels. There are 20 tasks with a total of $2 . 5 \\mathrm { k }$ instances per task; $2 . 5 \\mathrm { k }$ for training and 500 for testing. All results are reported on the test set and are averaged over 3 runs. The data are summarized in Table 1. ",
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+ "text": "Each of these datasets has interesting characteristics which challenge the learning in different ways. CIFAR-MTL is a “natural” dataset whose tasks correspond to human categories. MIN-MTL is randomly generated so will have less task coherence. This makes positive transfer more difficult to achieve and negative transfer more of a problem. And MNIST-MTL, while simple, has the difficult property that the same instance can appear with different labels in different tasks, causing interference. For example, in the $^ { 6 6 } 0$ vs other digits” task, “0” appears with a positive label but in the “1 vs other digits” task it appears with a negative label. ",
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+ "text": "Our experiments are conducted on a convnet architecture (SimpleConvNet) which appeared recently in (Ravi & Larochelle, 2017). This model has 4 convolutional layers, each consisting of a 3x3 convolution and 32 filters, followed by batch normalization and a ReLU. The convolutional layers are followed by 3 fully connected layers, with 128 hidden units each. Our routed version of the network routes the 3 fully connected layers and for each routed layer we supply one randomly initialized function block per task in the dataset. When we use neural net approximators for the router agents they are always 2 layer MLPs with a hidden dimension of 64. A state $( v , t , i )$ is encoded for input to the approximator by concatenating $v$ with a 1-hot representation of $t$ (if used). That is, encoding(s) $=$ concat $( v , \\mathrm { o n e . h o t } ( t ) )$ . ",
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+ "Table 1: Dataset training and testing splits "
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+ "table_body": "| Dataset | # Training | # Testing |
| CIFAR-MTL | 50k | 10k |
| MIN-MTL | 40k | 2.5k |
| MNIST-MTL | 100k | 2k |
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+ "text": "We did a parameter sweep to find the best learning rate and $\\rho$ value for each algorithm on each dataset. We use $\\rho = 0 . 0$ (no collaboration reward) for CIFAR-MTL and MIN-MTL and $\\rho = 0 . 3$ for MNIST-MTL. The learning rate is initialized to $1 0 ^ { - 2 }$ and annealed by dividing by 10 every 20 epochs. We tried both regular SGD as well as Adam Kingma & Ba (2014), but chose SGD as it resulted in marginally better performance. The SimpleConvNet has batch normalization layers but we use no dropout. ",
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+ "text": "For one experiment, we dedicate a special “PASS” action to allow the agents to skip layers during training which leaves the current state unchanged (routing-all-fc recurrent/+PASS). A detailed description of the PASS action is provided in the Appendix in Section 7.2. ",
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+ "text": "All data are presented in Table 2 in the Appendix. ",
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+ "text": "In the first experiment, shown in Figure 4, we compare different RL training algorithms on CIFARMTL. We compare five algorithms: MARL:WPL; a single agent REINFORCE learner with a separate approximation function per layer; an agent-per-task REINFORCE learner which maintains a separate approximation function for each layer; an agent-per-task Q learner with a separate approximation function per layer; and an agent-per-task Q learner with a separate table for each layer. The best performer is the WPL algorithm which outperforms the nearest competitor, tabular Q-Learning by about $4 \\%$ . We can see that (1) the WPL algorithm works better than a similar vanilla PG, which has trouble learning; (2) having multiple agents works better than having a single agent; and (3) the tabular versions, which just use the task and depth to make their predictions, work better here than the approximation versions, which all use the representation vector in addition predict the next action. ",
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+ "text": "The next experiment compares the best performing algorithm WPL against other routing approaches, including the already introduced REINFORCE: single agent (for which WPL is not applicable). All of these algorithms route the full-connected layers of the SimpleConvNet using the layering approach we discussed earlier. To make the next comparison clear we rename MARL:WPL to routingall- $f c$ in Figure 5 to reflect the fact that it routes all the fully connected layers of the SimpleConvNet, and rename REINFORCE: single agent to routing-all-fc single agent. We compare against several other approaches. One approach, routing-all-fc-recurrent/+PASS, has the same setup as routing-all$f c$ , but does not constrain the router to pick only from layer 0 function blocks at depth 0, etc. It is allowed to choose any function block from two of the layers (since the first two routed layers have identical input and output dimensions; the last is the classification layer). Another approach, soft-mixture- $- f c$ , is a soft version of the router architecture. This soft version uses the same function blocks as the routed version, but replaces the hard selection with a trained softmax attention (see the discussion below on cross-stitch networks for the details). We also compare against the single agent architecture shown in 3(a) called routing-all-fc single agent and the dispatched architecture shown in Figure 3(c) called routing-all-fc dispatched. Neither of these approached the performance of the per-task agents. The best performer by a large margin is routing-all-fc, the fully routed WPL algorithm. ",
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+ "Figure 4: Influence of the RL algorithm on CIFAR-MTL. Detailed descriptions of the implementation each approach can be found in the Appendix in Section 7.3. "
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+ "Figure 5: Comparison of Routing Architectures on CIFAR-MTL. Implementation details of each approach can be found in the Appendix in Section 7.3. "
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+ "text": "We next compare routing-all-fc on different domains against the cross-stitch networks of Misra et al. \n(2016) and two challenging baselines: task specific-1-fc and task specific-all-fc, described below. ",
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+ "text": "Cross-stitch networks Misra et al. (2016) are a kind of linear-combination model for multi-task learning. They maintain one model per task with a shared input layer, and “cross stitch” connection layers, which allow sharing between tasks. Instead of selecting a single function block in the next layer to route to, a cross-stitch network routes to all the function blocks simultaneously, with the input for a function block all the function blocks of l $i$ inyer r . $l$ given That is: the activations com, for learned weights d byand $l - 1$ $\\begin{array} { r } { \\operatorname* { i n p u t } _ { l i } = \\sum _ { j = 1 } ^ { k } w _ { i j } ^ { l } v _ { l - 1 , j } } \\end{array}$ $w _ { i j } ^ { l }$ layer activations $v _ { l - 1 , j }$ . For our experiments, we add a cross-stitch layer to each of the routed layers of SimpleConvNet. We additional compare to a similar “soft routing” version soft-mixture- $f c$ in Figure 5. Soft-routing uses a softmax to normalize the weights used to combine the activations of previous layers and it shares parameters for a given layer so that $\\mathbf { w _ { i } ^ { l } } = \\mathbf { w _ { i ^ { \\prime } } ^ { l } }$ for all $i , i ^ { \\prime } , l$ . ",
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+ "Figure 6: Results on domain CIFAR-MTL "
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+ "Figure 7: Results on domain MIN-MTL (mini ImageNet) "
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+ "text": "The task-specific-1-fc baseline has a separate last fully connected layer for each task and shares the rest of the layers for all tasks. The task specific-all-fc baseline has a separate set of all the fully connected layers for each task. These baseline architectures allow considerable sharing of parameters but also grant the network private parameters for each task to avoid interference. However, unlike routing networks, the choice of which parameters are shared for which tasks, and which parameters are task-private is made statically in the architecture, independent of task. ",
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+ "text": "The results are shown in Figures 6, 7, and 8. In each case the routing net routing-all-fc performs consistently better than the cross-stitch networks and the baselines. On CIFAR-MTL, the routing net beats cross-stitch networks by $7 \\%$ and the next closest baseline task-specific-1-fc by $11 \\%$ . On MIN-MTL, the routing net beats cross-stitch networks by about $2 \\%$ and the nearest baseline taskspecific- ${ \\mathbf { } } I { \\mathbf { - } } f c$ by about $6 \\%$ . We surmise that the results are better on CIFAR-MTL because the task instances have more in common whereas the MIN-MTL tasks are randomly constructed, making sharing less profitable. ",
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+ "text": "On MNIST-MTL the random baseline is $90 \\%$ . We experimented with several learning rates but were unable to get the cross-stitch networks to train well here. Routing nets beats the cross-stitch networks by $9 \\%$ and the nearest baseline (task-specific-all- $f c$ ) by $3 \\%$ . The soft version also had trouble learning on this dataset. ",
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+ "text": "In all these experiments routing makes a significant difference over both cross-stitch networks and the baselines and we conclude that a dynamic policy which learns the function blocks to compose on a per-task basis yields better accuracy and sharper convergence than simple static sharing baselines or a soft attention approach. ",
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+ "text": "In addition, router training is much faster. On CIFAR-MTL for example, training time on a stable compute cluster was reduced from roughly 38 hours to 5.6, an $85 \\%$ improvement. We have conducted a set of scaling experiments to compare the training computation of routing networks and cross-stitch networks trained with 2, 3, 5, and 10 function blocks. The results are shown in the appendix in Figure 15. Routing networks consistently perform better than cross-stitch networks and the baselines across all these problems. Adding function blocks has no apparent effect on the computation involved in training routing networks on a dataset of a given size. On the other hand, cross-stitch networks has a soft routing policy that scales computation linearly with the number of function blocks. Because the soft policy backpropagates through all function blocks and the hard routing policy only backpropagates through the selected block, the hard policy can much more easily scale to many task learning scenarios that require many diverse types of functional primitives. ",
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+ "text": "To explore why the multi-agent approach seems to do better than the single-agent, we manually compared their policy dynamics for several CIFAR-MTL examples. For these experiments $\\rho = 0 . 0$ so there is no collaboration reward which might encourage less diversity in the agent choices. In the cases we examined we found that the single agent often chose just 1 or 2 function blocks at each depth, and then routed all tasks to those. We suspect that there is simply too little signal available to the agent in the early, random stages, and once a bias is established its decisions suffer from a lack of diversity. ",
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+ "Figure 8: Results on domain MNIST-MTL "
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+ "text": "The routing network on the other hand learns a policy which, unlike the baseline static models, partitions the network quite differently for each task, and also achieves considerable diversity in its choices as can be seen in Figure 11. This figure shows the routing decisions made over the whole MNIST MTL dataset. Each task is labeled at the top and the decisions for each of the three routed layers are shown below. We believe that because the routing network has separate policies for each task, it is less sensitive to a bias for one or two function blocks and each agent learns more independently what works for its assigned task. ",
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+ "Figure 9: The Policies of all Agents for the first function block layer for the first 100 samples of each task of MNIST-MTL "
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+ "Figure 10: The Probabilities of all Agents of taking Block 7 for the first 100 samples of each task (totalling 1000 samples) of MNIST-MTL "
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+ "type": "text",
+ "text": "5 QUALITATIVE RESULTS ",
+ "text_level": 1,
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+ "text": "To better understand the agent interaction we have created several views of the policy dynamics. First, in Figure 9, we chart the policy over time for the first decision. Each rectangle labeled $T _ { i }$ on the left represents the evolution of the agent’s policy for that task. For each task, the horizontal axis is number of samples per task and the vertical axis is actions (decisions). Each vertical slice shows the probability distribution over actions after having seen that many samples of its task, with darker shades indicating higher probability. From this picture we can see that, in the beginning, all task agents have high entropy. As more samples are processed each agent develops several candidate function blocks to use for its task but eventually all agents converge to close to $100 \\%$ probability for one particular block. In the language of games, the agents find a pure strategy for routing. ",
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+ "text": "In the next view of the dynamics, we pick one particular function block (block 7) and plot the probability, for each agent, of choosing that block over time. The horizontal axis is time (sample) and the vertical axis is the probability of choosing block 7. Each colored curve corresponds to a different task agent. Here we can see that there is considerable oscillation over time until two agents, pink and green, emerge as the “victors” for the use of block 7 and each assign close to $100 \\%$ probability for choosing it in routing their respective tasks. It is interesting to see that the eventual winners, pink and green, emerge earlier as well as strongly interested in block 7. We have noticed this pattern in the analysis of other blocks and speculate that the agents who want to use the block are being pulled away from their early Nash equilibrium as other agents try to train the block away. ",
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+ "image_caption": [
+ "Figure 11: An actual routing map for MNIST-MTL. "
+ ],
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+ "text": "Finally, in Figure 11 we show a map of the routing for MNIST-MTL. Here tasks are at the top and each layer below represents one routing decision. Conventional wisdom has it that networks will benefit from sharing early, using the first layers for common representations, diverging later to accommodate differences in the tasks. This is the setup for our baselines. It is interesting to see that this is not what the network learns on its own. Here we see that the agents have converged on a strategy which first uses 7 function blocks, then compresses to just 4, then again expands to use 5. It is not clear if this is an optimal strategy but it does certainly give improvement over the static baselines. ",
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+ {
+ "type": "text",
+ "text": "6 FUTURE WORK ",
+ "text_level": 1,
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+ {
+ "type": "text",
+ "text": "We have presented a general architecture for routing and multi-agent router training algorithm which performs significantly better than cross-stitch networks and baselines and other single-agent approaches. The paradigm can easily be applied to a state-of-the-art network to allow it to learn to dynamically adjust its representations. ",
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+ "type": "text",
+ "text": "As described in the section on Routing Networks, the state space to be learned grows exponentially with the depth of the routing, making it challenging to scale the routing to deeper networks in their entirety. It would be interesting to try hierarchical RL techniques (Barto & Mahadevan (2003)) here. ",
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+ "type": "text",
+ "text": "Our most successful experiments have used the multi-agent architecture with one agent per task, trained with the Weighted Policy Learner algorithm (Algorithm 3). Currently this approach is tabular but we are investigating ways to adapt it to use neural net approximators. ",
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+ "type": "text",
+ "text": "We have also tried routing networks in an online setting, training over a sequence of tasks for few shot learning. To handle the iterative addition of new tasks we add a new routing agent for each and overfit it on the few shot examples while training the function modules with a very slow learning rate. Our results so far have been mixed, but this is a very useful setting and we plan to return to this problem. ",
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+ {
+ "type": "text",
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+ ],
+ "page_idx": 12
+ },
+ {
+ "type": "text",
+ "text": "Oriol Vinyals, Charles Blundell, Timothy P. Lillicrap, Koray Kavukcuoglu, and Daan Wierstra. Matching networks for one shot learning. CoRR, abs/1606.04080, 2016. URL http://arxiv. org/abs/1606.04080. ",
+ "bbox": [
+ 173,
+ 219,
+ 821,
+ 262
+ ],
+ "page_idx": 12
+ },
+ {
+ "type": "text",
+ "text": "Christopher John Cornish Hellaby Watkins. Learning from delayed rewards. PhD thesis, King’s College, Cambridge, 1989. ",
+ "bbox": [
+ 174,
+ 272,
+ 823,
+ 301
+ ],
+ "page_idx": 12
+ },
+ {
+ "type": "text",
+ "text": "Olga Wichrowska, Niru Maheswaranathan, Matthew W Hoffman, Sergio Gomez Colmenarejo, Misha Denil, Nando de Freitas, and Jascha Sohl-Dickstein. Learned optimizers that scale and generalize. arXiv preprint arXiv:1703.04813, 2017. ",
+ "bbox": [
+ 176,
+ 309,
+ 823,
+ 352
+ ],
+ "page_idx": 12
+ },
+ {
+ "type": "text",
+ "text": "Ronald J Williams. Simple statistical gradient-following algorithms for connectionist reinforcement learning. Machine learning, 8(3-4):229–256, 1992. ISSN 0885-6125. ",
+ "bbox": [
+ 173,
+ 361,
+ 823,
+ 390
+ ],
+ "page_idx": 12
+ },
+ {
+ "type": "text",
+ "text": "Barret Zoph and Quoc V Le. Neural architecture search with reinforcement learning. ICLR, 2017. ",
+ "bbox": [
+ 169,
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+ 816,
+ 414
+ ],
+ "page_idx": 12
+ },
+ {
+ "type": "text",
+ "text": "7 APPENDIX ",
+ "text_level": 1,
+ "bbox": [
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+ ],
+ "page_idx": 13
+ },
+ {
+ "type": "text",
+ "text": "7.1 IMPACT OF RHO ",
+ "text_level": 1,
+ "bbox": [
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+ ],
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+ },
+ {
+ "type": "image",
+ "img_path": "images/6365ef98272c6cbb41a3ea6b531077644e5b3d5779e2390f487395bb0fa5706b.jpg",
+ "image_caption": [
+ "Figure 12: Influence of the “collaboration reward” $\\rho$ on CIFAR-MTL. The architecture is routingall-fc with WPL routing agents. "
+ ],
+ "image_footnote": [],
+ "bbox": [
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+ "page_idx": 13
+ },
+ {
+ "type": "image",
+ "img_path": "images/a66fa3d76532e304689191c54074d2e80c5b8a4b9bd1316e62447418d4c52395.jpg",
+ "image_caption": [
+ "Figure 13: Comparison of per-task training cost for cross-stitch and routing networks. We add a function block per task and normalize the training time per epoch by dividing by the number of tasks to isolate the effect of adding function blocks on computation. "
+ ],
+ "image_footnote": [],
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+ },
+ {
+ "type": "text",
+ "text": "7.2 THE PASS ACTION ",
+ "text_level": 1,
+ "bbox": [
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+ "page_idx": 13
+ },
+ {
+ "type": "text",
+ "text": "When routing networks, some resulting sets of function blocks can be applied repeatedly. While there might be other constraints, the prevalent one is dimensionality - input and output dimensions need to match. Applied to the SimpleConvNet architecture used throughout the paper, this means that of the fc layers - (convolution $ 4 8$ ), $^ { \\prime } 4 8 \\to 4 8$ ), $( 4 8 \\to \\# c l a s s e s )$ ), the middle transformation can be applied an arbitrary number of times. In this case, the routing network becomes fully recurrent and the PASS action is applicable. This allows the network to shorten the recursion depth. ",
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+ },
+ {
+ "type": "text",
+ "text": "7.3 OVERVIEW OF IMPLEMENTATIONS ",
+ "text_level": 1,
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+ "type": "text",
+ "text": "We have tested 9 different implementation variants of the routing architectures. The architectures are summarized in Tables 3 and 4. The columns are: ",
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+ },
+ {
+ "type": "text",
+ "text": "#Agents refers to how many agents are used to implement the router. In most of the experiments, each router consists of one agent per task. However, as described in 3.1, there are implementations with 1 and #tasks $^ { + 1 }$ agents. ",
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+ "type": "table",
+ "img_path": "images/188732d15a9ca844bc820466f11c4fb9a090f9dc751d978c15ae9d45dcb16a1b.jpg",
+ "table_caption": [
+ "Table 2: Numeric results (in $\\%$ accuracy) for Figures 4 through 8 "
+ ],
+ "table_footnote": [],
+ "table_body": " | Epoch | 1 | 5 | 10 | 20 | 50 | 100 |
| RL (Figure 4) | REINFORCE: approx | 20 | 20 | 20 | 20 | 20 | 20 | |
| Qlearning: approx | 20 | 20 | 20 | 20 | | 24 | 25 |
| Qlearning:table | 20 | 36 | 47 | 50 | | 55 | 55 |
| MARL-WPL: table | 31 | 53 | 57 | 58 | | 60 | 60 |
| arch (Figure 5) | routing-all-fc | 31 | 53 | 57 | | 58 | 60 | 60 |
| routing-all-fc recursive | 31 | 43 | 45 | | 48 | 48 | 46 |
| routing-all-fc dispatched | 20 | 23 | 28 | | 37 | 42 | 41 |
| soft mixture-all-fc | 20 | 24 | 27 | | 30 | 32 | 35 |
| routing-all-fc single agent | 20 | 23 | 33 | | 42 | 44 | 44 |
| CIFAR (Figure 6 | routing-all-fc | 31 | 53 | 57 | | 58 | 60 | 60 |
| task specific-all-fc | 21 | 29 | 33 | | 36 | 42 | 42 |
| task specific-1-fc | 27 | 34 | 39 | | 42 | 48 | 49 |
| cross stitch-all-fc | 26 | 37 | 42 | | 49 | 52 | 53 |
| MIN (Figure 7) | routing-all-fc | 34 | 54 | 57 | | 55 | 58 | 57 |
| task specific-all-fc | 22 | 30 | 37 | | 43 | 47 | 48 |
| task specific-1fc | 29 | 38 | 43 | | 46 | 51 | 51 |
| cross-stitch-all-fc | 29 | 41 | 48 | | 53 | | 55 |
| MNIST (Figure : 8) | routing-all-fc | | | | | | 56 | 99 |
| task specific-all-fc | 90 | 90 | 98 | | 99 | 99 | |
| task specific-1fc | 90 90 | 91 90 | 94 91 | | 95 | 95 | 96 95 |
| soft mixture-all-fc | 90 | 90 | 90 | | 92 90 | 93 90 | 90 |
| cross-stitch-all-fc | | | | | 90 | 90 | |
| | 90 | 90 | 90 | | | | 90 |
",
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+ "page_idx": 14
+ },
+ {
+ "type": "image",
+ "img_path": "images/1b52033268ba78b231876fdbc8809a6b89dd154b2f9644017dd44b618359806f.jpg",
+ "image_caption": [
+ "Figure 15: Results on the first $n$ tasks of CIFAR-MTL "
+ ],
+ "image_footnote": [],
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+ "table_caption": [
+ "Table 3: Implementation details for Figure 4. All approx functions are 2 layer MLPs with a hidden dim of 64. "
+ ],
+ "table_footnote": [],
+ "table_body": "| Name | Num Agents | Policy Representation | Part of State =(v,t,d) Used |
| MARL:WPL | Num Tasks | Tabular (num layers x num function blocks) | t,d |
| REINFORCE | Num Tasks | Vector(numlayers)ofapprox functions | v,t,d |
| Q-Learning | Num Tasks | Vector (num layers) of approx functions | v,t,d |
| Q-Learning | Num Tasks | Tabular (num layers x num function blocks) | t,d |
",
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+ {
+ "type": "table",
+ "img_path": "images/b7e80535d84b2e9692b8c0aa9c9a68e946380d36c77b74d11c980b47391c57a0.jpg",
+ "table_caption": [
+ "Table 4: Implementation details for Figure 5. All approx functions are 2 layer MLP’s with a hidden dim of 64. "
+ ],
+ "table_footnote": [],
+ "table_body": "| Name | Num Agents | Policy Representation | Part of State = (v,t,d) Used |
| routing-all-fc | Num Tasks | Tabular (numlayers X num function blocks) | t,d |
| routing-all-fc non-layered | Num Tasks | tabular (num layers X num function blocks) | t,d |
| soft-routing-all-fc | Num Tasks | Vector(num layers) of appox functions | v,t,d |
| dispatched-routing-all-fc | Num Tasks +1 | Vector (num layers) of appox functions+ dispatcher | v,td |
| single-agent-routing-all-fc | 1 | Vector (num layers)of approx functions) | v,t,d |
",
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+ "page_idx": 15
+ },
+ {
+ "type": "text",
+ "text": "Policy Representation There are two dominant representation variations, as described in 3.1. In the first, the policy is stored as a table. Since the table needs to store values for each of the different layers of the routing network, it is of size num layers $\\times$ num actions. In the second, it is represented either as vector of MLP’s with a hidden layer of dimension 64, one for each layer of the routing network. In this case the input to the MLP is the representation vector $v$ concatenated with a one-hot representation of the task identifier. ",
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+ "type": "text",
+ "text": "Policy Input describes which parts of the state are used in the decision of the routing action. For tabular policies, the task is used to index the agent responsible for handling that task. Each agent then uses the depth as a row index into into the table. For approximation-based policies, there are two variations. For the single agent case the depth is used to index an approximation function which takes as input concat $_ v$ , one-hot $\\mathbf { \\eta } ^ { ( t ) }$ ). For the multi-agent (non-dispatched) case the task label is used to index the agent and then the depth is used to index the corresponding approximation function for that depth, which is given concat(v, one-hot $\\mathbf { \\rho } ( t )$ ) as input. In the dispatched case, the dispatcher is given concat $\\dot { \\boldsymbol { v } }$ , one-hot(t)) and predicts an agent index. That agent uses the depth to find the approximation function for that depth which is then given concat( $\\boldsymbol { v }$ , one-hot $\\mathbf { \\Psi } ( t ) .$ ) as input. ",
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+ "type": "text",
+ "text": "7.4 EXPLANATION OF THE WEIGHTED POLICY LEARNER (WPL) ALGORITHM ",
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+ "text": "The WPL algorithm is a multi-agent policy gradient algorithm designed to help dampen policy oscillation and encourage convergence. It does this by slowly scaling down the learning rate for an agent after a gradient change in that agents policy. It determines when there has been a gradient change by using the difference between the immediate reward and historical average reward for the action taken. Depending on the sign of the gradient the algorithm is in one of two scenarios. If the gradient is positive then it is scaled by $1 - \\pi ( a _ { i } )$ . Over time if the gradient remains positive it will cause $\\pi ( \\boldsymbol { a } _ { i } )$ to increase and so $1 - \\pi ( a _ { i } )$ will go to 0, slowing the learning. If the gradient is negative then it is scaled by $\\pi ( \\boldsymbol { a } _ { i } )$ . Here again if the gradient remains negative over time it will cause $\\pi ( \\boldsymbol { a } _ { i } )$ to decrease eventually to 0, slowing the learning again. Slowing the learning after gradient changes dampens the policy oscillation and helps drive the policies towards convergence. ",
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