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In this tutorial paper, Carl E. Rasmussen gives an introduction to Gaussian Process Regression focusing on the definition, the hyperparameter learning and future research directions. A Gaussian Process is completely defined by its mean function $m(\pmb{x})$ and its covariance function (kernel) $k(\pmb{x},\pmb{x}')$. The mean function $m(\pmb{x})$ corresponds to the mean vector $\pmb{\mu}$ of a Gaussian distribution whereas the covariance function $k(\pmb{x}, \pmb{x}')$ corresponds to the covariance matrix $\pmb{\Sigma}$. Thus, a Gaussian Process $f \sim \mathcal{GP}\left(m(\pmb{x}), k(\pmb{x}, \pmb{x}')\right)$ is a generalization of a Gaussian distribution over vectors to a distribution over functions. A random function vector $\pmb{\mathrm{f}}$ can be generated by a Gaussian Process through the following procedure: 1. Compute the components $\mu_i$ of the mean vector $\pmb{\mu}$ for each input $\pmb{x}_i$ using the mean function $m(\pmb{x})$ 2. Compute the components $\Sigma_{ij}$ of the covariance matrix $\pmb{\Sigma}$ using the covariance function $k(\pmb{x}, \pmb{x}')$ 3. A function vector $\pmb{\mathrm{f}} = [f(\pmb{x}_1), \dots, f(\pmb{x}_n)]^T$ can be drawn from the Gaussian distribution $\pmb{\mathrm{f}} \sim \mathcal{N}\left(\pmb{\mu}, \pmb{\Sigma} \right)$ Applying this procedure to regression, means that the resulting function vector $\pmb{\mathrm{f}}$ shall be drawn in a way that a function vector $\pmb{\mathrm{f}}$ is rejected if it does not comply with the training data $\mathcal{D}$. This is achieved by conditioning the distribution on the training data $\mathcal{D}$ yielding the posterior Gaussian Process $f \rvert \mathcal{D} \sim \mathcal{GP}(m_D(\pmb{x}), k_D(\pmb{x},\pmb{x}'))$ for noise-free observations with the posterior mean function $m_D(\pmb{x}) = m(\pmb{x}) + \pmb{\Sigma}(\pmb{X},\pmb{x})^T \pmb{\Sigma}^{-1}(\pmb{\mathrm{f}} - \pmb{\mathrm{m}})$ and the posterior covariance function $k_D(\pmb{x},\pmb{x}')=k(\pmb{x},\pmb{x}') - \pmb{\Sigma}(\pmb{X}, \pmb{x}')$ with $\pmb{\Sigma}(\pmb{X},\pmb{x})$ being a vector of covariances between every training case of $\pmb{X}$ and $\pmb{x}$. Noisy observations $y(\pmb{x}) = f(\pmb{x}) + \epsilon$ with $\epsilon \sim \mathcal{N}(0,\sigma_n^2)$ can be taken into account with a second Gaussian Process with mean $m$ and covariance function $k$ resulting in $f \sim \mathcal{GP}(m,k)$ and $y \sim \mathcal{GP}(m, k + \sigma_n^2\delta_{ii'})$. The figure illustrates the cases of noisy observations (variance at training points) and of noise-free observationshttps://i.imgur.com/BWvsB7T.png (no variance at training points). In the Machine Learning perspective, the mean and the covariance function are parametrised by hyperparameters and provide thus a way to include prior knowledge e.g. knowing that the mean function is a second order polynomial. To find the optimal hyperparameters $\pmb{\theta}$, 1. determine the log marginal likelihood $L= \mathrm{log}(p(\pmb{y} \rvert \pmb{x}, \pmb{\theta}))$, 2. take the first partial derivatives of $L$ w.r.t. the hyperparameters, and 3. apply an optimization algorithm. It should be noted that a regularization term is not necessary for the log marginal likelihood $L$ because it already contains a complexity penalty term. Also, the tradeoff between data-fit and penalty is performed automatically. Gaussian Processes provide a very flexible way for finding a suitable regression model. However, they require the high computational complexity $\mathcal{O}(n^3)$ due to the inversion of the covariance matrix. In addition, the generalization of Gaussian Processes to non-Gaussian likelihoods remains complicated. ![]() |
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Kumar et al. propose an algorithm to learn in batch reinforcement learning (RL), a setting where an agent learns purely form a fixed batch of data, $B$, without any interactions with the environments. The data in the batch is collected according to a batch policy $\pi_b$. Whereas most previous methods (like BCQ) constrain the learned policy to stay close to the behavior policy, Kumar et al. propose bootstrapping error accumulation reduction (BEAR), which constrains the newly learned policy to place some probability mass on every non negligible action. The difference is illustrated in the picture from the BEAR blog post: https://i.imgur.com/zUw7XNt.png The behavior policy is in both images the dotted red line, the left image shows the policy matching where the algorithm is constrained to the purple choices, while the right image shows the support matching. **Theoretical Contribution:** The paper analysis formally how the use of out-of-distribution actions to compute the target in the Bellman equation influences the back-propagated error. Firstly a distribution constrained backup operator is defined as $T^{\Pi}Q(s,a) = \mathbb{E}[R(s,a) + \gamma \max_{\pi \in \Pi} \mathbb{E}_{P(s' \vert s,a)} V(s')]$ and $V(s) = \max_{\pi \in \Pi} \mathbb{E}_{\pi}[Q(s,a)]$ which considers only policies $\pi \in \Pi$. It is possible that the optimal policy $\pi^*$ is not contained in the policy set $\Pi$, thus there is a suboptimallity constant $\alpha (\Pi) = \max_{s,a} \vert \mathcal{T}^{\Pi}Q^{*}(s,a) - \mathcal{T}Q^{*}(s,a) ]\vert $ which captures how far $\pi^{*}$ is from $\Pi$. Letting $P^{\pi_i}$ be the transition-matrix when following policy $\pi_i$, $\rho_0$ the state marginal distribution of the training data in the batch and $\pi_1, \dots, \pi_k \in \Pi $. The error analysis relies upon a concentrability assumption $\rho_0 P^{\pi_1} \dots P^{\pi_k} \leq c(k)\mu(s)$, with $\mu(s)$ the state marginal. Note that $c(k)$ might be infinite if the support of $\Pi$ is not contained in the state marginal of the batch. Using the coefficients $c(k)$ a concentrability coefficient is defined as: $C(\Pi) = (1-\gamma)^2\sum_{k=1}^{\infty}k \gamma^{k-1}c(k).$ The concentrability takes values between 1 und $\infty$, where 1 corresponds to the case that the batch data were collected by $\pi$ and $\Pi = \{\pi\}$ and $\infty$ to cases where $\Pi$ has support outside of $\pi$. Combining this Kumar et a. get a bound of the Bellman error for distribution constrained value iteration with the constrained Bellman operator $T^{\Pi}$: $\lim_{k \rightarrow \infty} \mathbb{E}_{\rho_0}[\vert V^{\pi_k}(s)- V^{*}(s)] \leq \frac{\gamma}{(1-\gamma^2)} [C(\Pi) \mathbb{E}_{\mu}[\max_{\pi \in \Pi}\mathbb{E}_{\pi}[\delta(s,a)] + \frac{1-\gamma}{\gamma}\alpha(\Pi) ] ]$, where $\delta(s,a)$ is the Bellman error. This presents the inherent batch RL trade-off between keeping policies close to the behavior policy of the batch (captured by $C(\Pi)$ and keeping $\Pi$ sufficiently large (captured by $\alpha(\Pi)$). It is finally proposed to use support sets to construct $\Pi$, that is $\Pi_{\epsilon} = \{\pi \vert \pi(a \vert s)=0 \text{ whenever } \beta(a \vert s) < \epsilon \}$. This amounts to the set of all policies that place probability on all non-negligible actions of the behavior policy. For this particular choice of $\Pi = \Pi_{\epsilon}$ the concentrability coefficient can be bounded. **Algorithm**: The algorithm has an actor critic style, where the Q-value to update the policy is taken to be the minimum over the ensemble. The support constraint to place at least some probability mass on every non negligible action from the batch is enforced via sampled MMD. The proposed algorithm is a member of the policy regularized algorithms as the policy is updated to optimize: $\pi_{\Phi} = \max_{\pi} \mathbb{E}_{s \sim B} \mathbb{E}_{a \sim \pi(\cdot \vert s)} [min_{j = 1 \dots, k} Q_j(s,a)] s.t. \mathbb{E}_{s \sim B}[MMD(D(s), \pi(\cdot \vert s))] \leq \epsilon$ The Bellman target to update the Q-functions is computed as the convex combination of minimum and maximum of the ensemble. **Experiments** The experiments use the Mujoco environments Halfcheetah, Walker, Hopper and Ant. Three scenarios of batch collection, always consisting of 1Mio. samples, are considered: - completely random behavior policy - partially trained behavior policy - optimal policy as behavior policy The experiments confirm that BEAR outperforms other off-policy methods like BCQ or KL-control. The ablations show further that the choice of MMD is crucial as it is sometimes on par and sometimes substantially better than choosing KL-divergence. ![]() |
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Adversarial examples are datapoints that are designed to fool a classifier. For example, we can take an image that is classified correctly using a neural network, then backprop through the model to find which changes we need to make in order for it to be classified as something else. And these changes can be quite small, such that a human would hardly notice a difference. https://i.imgur.com/pkK570X.png Examples of adversarial images. In this paper, they show that much of this property holds even when the images are fed into the classifier from the real world – after being photographed with a cell phone camera. While the accuracy goes from 85.3% to 36.3% when adversarial modifications are applied on the source images, the performance still drops from 79.8% to 36.4% when the images are photographed. They also propose two modifications to the process of generating adversarial images – making it into a more gradual iterative process, and optimising for a specific adversarial class. ![]() |
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Lee et al. propose a variant of adversarial training where a generator is trained simultaneously to generated adversarial perturbations. This approach follows the idea that it is possible to “learn” how to generate adversarial perturbations (as in [1]). In this case, the authors use the gradient of the classifier with respect to the input as hint for the generator. Both generator and classifier are then trained in an adversarial setting (analogously to generative adversarial networks), see the paper for details. [1] Omid Poursaeed, Isay Katsman, Bicheng Gao, Serge Belongie. Generative Adversarial Perturbations. ArXiv, abs/1712.02328, 2017. ![]() |
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This is follow-up work to the ResNets paper. It studies the propagation formulations behind the connections of deep residual networks and performs ablation experiments. A residual block can be represented with the equations $y_l = h(x_l) + F(x_l, W_l); x_{l+1} = f(y_l)$. $x_l$ is the input to the l-th unit and $x_{l+1}$ is the output of the l-th unit. In the original ResNets paper, $h(x_l) = x_l$, $f$ is ReLu, and F consists of 2-3 convolutional layers (bottleneck architecture) with BN and ReLU in between. In this paper, they propose a residual block with both $h(x)$ and $f(x)$ as identity mappings, which trains faster and performs better than their earlier baseline. Main contributions: - Identity skip connections work much better than other multiplicative interactions that they experiment with: - Scaling $(h(x) = \lambda x)$: Gradients can explode or vanish depending on whether modulating scalar \lambda > 1 or < 1. - Gating ($1-g(x)$ for skip connection and $g(x)$ for function F): For gradients to propagate freely, $g(x)$ should approach 1, but F gets suppressed, hence suboptimal. This is similar to highway networks. $g(x)$ is a 1x1 convolutional layer. - Gating (shortcut-only): Setting high biases pushes initial $g(x)$ towards identity mapping, and test error is much closer to baseline. - 1x1 convolutional shortcut: These work well for shallower networks (~34 layers), but training error becomes high for deeper networks, probably because they impede gradient propagation. - Experiments on activations. - BN after addition messes up information flow, and performs considerably worse. - ReLU before addition forces the signal to be non-negative, so the signal is monotonically increasing, while ideally a residual function should be free to take values in (-inf, inf). - BN + ReLU pre-activation works best. This also prevents overfitting, due to BN's regularizing effect. Input signals to all weight layers are normalized. ## Strengths - Thorough set of experiments to show that identity shortcut connections are easiest for the network to learn. Activation of any deeper unit can be written as the sum of the activation of a shallower unit and a residual function. This also implies that gradients can be directly propagated to shallower units. This is in contrast to usual feedforward networks, where gradients are essentially a series of matrix-vector products, that may vanish, as networks grow deeper. - Improved accuracies than their previous ResNets paper. ## Weaknesses / Notes - Residual units are useful and share the same core idea that worked in LSTM units. Even though stacked non-linear layers are capable of asymptotically approximating any arbitrary function, it is clear from recent work that residual functions are much easier to approximate than the complete function. The [latest Inception paper](http://arxiv.org/abs/1602.07261) also reports that training is accelerated and performance is improved by using identity skip connections across Inception modules. - It seems like the degradation problem, which serves as motivation for residual units, exists in the first place for non-idempotent activation functions such as sigmoid, hyperbolic tan. This merits further investigation, especially with recent work on function-preserving transformations such as [Network Morphism](http://arxiv.org/abs/1603.01670), which expands the Net2Net idea to sigmoid, tanh, by using parameterized activations, initialized to identity mappings. ![]() |