In machine learning, a variational autoencoder (VAE) is an artificial neural network architecture introduced by Diederik P. Kingma and Max Welling in 2013. It is part of the families of probabilistic graphical models and variational Bayesian methods. In addition to being seen as an autoencoder neural network architecture, variational autoencoders can also be studied within the mathematical formulation of variational Bayesian methods, connecting a neural encoder network to its decoder through a probabilistic latent space (for example, as a multivariate Gaussian distribution) that corresponds to the parameters of a variational distribution. Thus, the encoder maps each point (such as an image) from a large complex dataset into a distribution within the latent space, rather than to a single point in that space. The decoder has the opposite function, which is to map from the latent space to the input space, again according to a distribution (although in practice, noise is rarely added during the decoding stage). By mapping a point to a distribution instead of a single point, the network can avoid overfitting the training data. Both networks are typically trained together with the usage of the reparameterization trick, although the variance of the noise model can be learned separately. Although this type of model was initially designed for unsupervised learning, its effectiveness has been proven for semi-supervised learning and supervised learning. == Overview of architecture and operation == A variational autoencoder is a generative model with a prior and noise distribution respectively. Usually such models are trained using the expectation-maximization meta-algorithm (e.g. probabilistic PCA, (spike & slab) sparse coding). Such a scheme optimizes a lower bound of the data likelihood, which is usually computationally intractable, and in doing so requires the discovery of q-distributions, or variational posteriors. These q-distributions are normally parameterized for each individual data point in a separate optimization process. However, variational autoencoders use a neural network as an amortized approach to jointly optimize across data points. In that way, the same parameters are reused for multiple data points, which can result in massive memory savings. The first neural network takes as input the data points themselves, and outputs parameters for the variational distribution. As it maps from a known input space to the low-dimensional latent space, it is called the encoder. The decoder is the second neural network of this model. It is a function that maps from the latent space to the input space, e.g. as the means of the noise distribution. It is possible to use another neural network that maps to the variance, however this can be omitted for simplicity. In such a case, the variance can be optimized with gradient descent. To optimize this model, one needs to know two terms: the "reconstruction error", and the Kullback–Leibler divergence (KL-D). Both terms are derived from the free energy expression of the probabilistic model, and therefore differ depending on the noise distribution and the assumed prior of the data, here referred to as p-distribution. For example, a standard VAE task such as IMAGENET is typically assumed to have a gaussianly distributed noise; however, tasks such as binarized MNIST require a Bernoulli noise. The KL-D from the free energy expression maximizes the probability mass of the q-distribution that overlaps with the p-distribution, which unfortunately can result in mode-seeking behaviour. The "reconstruction" term is the remainder of the free energy expression, and requires a sampling approximation to compute its expectation value. More recent approaches replace Kullback–Leibler divergence (KL-D) with various statistical distances, see "Statistical distance VAE variants" below. == Formulation == From the point of view of probabilistic modeling, one wants to maximize the likelihood of the data x {\displaystyle x} by their chosen parameterized probability distribution p θ ( x ) = p ( x | θ ) {\displaystyle p_{\theta }(x)=p(x|\theta )} . This distribution is usually chosen to be a Gaussian N ( x | μ , σ ) {\displaystyle N(x|\mu ,\sigma )} which is parameterized by μ {\displaystyle \mu } and σ {\displaystyle \sigma } respectively, and as a member of the exponential family it is easy to work with as a noise distribution. Simple distributions are easy enough to maximize, however distributions where a prior is assumed over the latents z {\displaystyle z} results in intractable integrals. Let us find p θ ( x ) {\displaystyle p_{\theta }(x)} via marginalizing over z {\displaystyle z} . p θ ( x ) = ∫ z p θ ( x , z ) d z , {\displaystyle p_{\theta }(x)=\int _{z}p_{\theta }({x,z})\,dz,} where p θ ( x , z ) {\displaystyle p_{\theta }({x,z})} represents the joint distribution under p θ {\displaystyle p_{\theta }} of the observable data x {\displaystyle x} and its latent representation or encoding z {\displaystyle z} . According to the chain rule, the equation can be rewritten as p θ ( x ) = ∫ z p θ ( x | z ) p θ ( z ) d z {\displaystyle p_{\theta }(x)=\int _{z}p_{\theta }({x|z})p_{\theta }(z)\,dz} In the vanilla variational autoencoder, z {\displaystyle z} is usually taken to be a finite-dimensional vector of real numbers, and p θ ( x | z ) {\displaystyle p_{\theta }({x|z})} to be a Gaussian distribution. Then p θ ( x ) {\displaystyle p_{\theta }(x)} is a mixture of Gaussian distributions. It is now possible to define the set of the relationships between the input data and its latent representation as Prior p θ ( z ) {\displaystyle p_{\theta }(z)} Likelihood p θ ( x | z ) {\displaystyle p_{\theta }(x|z)} Posterior p θ ( z | x ) {\displaystyle p_{\theta }(z|x)} Unfortunately, the computation of p θ ( z | x ) {\displaystyle p_{\theta }(z|x)} is expensive and in most cases intractable. To speed up the calculus to make it feasible, it is necessary to introduce a further function to approximate the posterior distribution as q ϕ ( z | x ) ≈ p θ ( z | x ) {\displaystyle q_{\phi }({z|x})\approx p_{\theta }({z|x})} with ϕ {\displaystyle \phi } defined as the set of real values that parametrize q {\displaystyle q} . This is sometimes called amortized inference, since by "investing" in finding a good q ϕ {\displaystyle q_{\phi }} , one can later infer z {\displaystyle z} from x {\displaystyle x} quickly without doing any integrals. In this way, the problem is to find a good probabilistic autoencoder, in which the conditional likelihood distribution p θ ( x | z ) {\displaystyle p_{\theta }(x|z)} is computed by the probabilistic decoder, and the approximated posterior distribution q ϕ ( z | x ) {\displaystyle q_{\phi }(z|x)} is computed by the probabilistic encoder. Parametrize the encoder as E ϕ {\displaystyle E_{\phi }} , and the decoder as D θ {\displaystyle D_{\theta }} . == Evidence lower bound (ELBO) == Like many deep learning approaches that use gradient-based optimization, VAEs require a differentiable loss function to update the network weights through backpropagation. For variational autoencoders, the idea is to jointly optimize the generative model parameters θ {\displaystyle \theta } to reduce the reconstruction error between the input and the output, and ϕ {\displaystyle \phi } to make q ϕ ( z | x ) {\displaystyle q_{\phi }({z|x})} as close as possible to p θ ( z | x ) {\displaystyle p_{\theta }(z|x)} . As reconstruction loss, mean squared error and cross entropy are often used. The Kullback–Leibler divergence D K L ( q ϕ ( z | x ) ∥ p θ ( z | x ) ) {\displaystyle D_{KL}(q_{\phi }({z|x})\parallel p_{\theta }({z|x}))} can be used as a loss function to squeeze q ϕ ( z | x ) {\displaystyle q_{\phi }({z|x})} under p θ ( z | x ) {\displaystyle p_{\theta }(z|x)} . This divergence loss expands to D K L ( q ϕ ( z | x ) ∥ p θ ( z | x ) ) = E z ∼ q ϕ ( ⋅ | x ) [ ln q ϕ ( z | x ) p θ ( z | x ) ] = E z ∼ q ϕ ( ⋅ | x ) [ ln q ϕ ( z | x ) p θ ( x ) p θ ( x , z ) ] = ln p θ ( x ) + E z ∼ q ϕ ( ⋅ | x ) [ ln q ϕ ( z | x ) p θ ( x , z ) ] . {\displaystyle {\begin{aligned}D_{KL}(q_{\phi }({z|x})\parallel p_{\theta }({z|x}))&=\mathbb {E} _{z\sim q_{\phi }(\cdot |x)}\left[\ln {\frac {q_{\phi }(z|x)}{p_{\theta }(z|x)}}\right]\\&=\mathbb {E} _{z\sim q_{\phi }(\cdot |x)}\left[\ln {\frac {q_{\phi }({z|x})p_{\theta }(x)}{p_{\theta }(x,z)}}\right]\\&=\ln p_{\theta }(x)+\mathbb {E} _{z\sim q_{\phi }(\cdot |x)}\left[\ln {\frac {q_{\phi }({z|x})}{p_{\theta }(x,z)}}\right].\end{aligned}}} Now, define the evidence lower bound (ELBO): L θ , ϕ ( x ) := E z ∼ q ϕ ( ⋅ | x ) [ ln p θ ( x , z ) q ϕ ( z | x ) ] = ln p θ ( x ) − D K L ( q ϕ ( ⋅ | x ) ∥ p θ ( ⋅ | x ) ) {\displaystyle L_{\theta ,\phi }(x):=\mathbb {E} _{z\sim q_{\phi }(\cdot |x)}\left[\ln {\frac {p_{\theta }(x,z)}{q_{\phi }({z|x})}}\right]=\ln p_{\theta }(x)-D_{KL}(q_{\phi }({\cdot |x})\parallel p_{\theta }({\cdot |x}))} Maximizing the ELBO θ ∗ , ϕ ∗ = argmax θ , ϕ L θ , ϕ ( x ) {\dis
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