We examine the problem of controlling divergences for latent space regularisation in variational autoencoders. Specifically, when aiming to reconstruct example $x\in\mathbb{R}^{m}$ via latent space $z\in\mathbb{R}^{n}$ ($n\leq m$), while balancing this against the need for generalisable latent representations. We present a regularisation mechanism based on the skew-geometric Jensen-Shannon divergence $\left(\textrm{JS}^{\textrm{G}_{\alpha}}\right)$. We find a variation in $\textrm{JS}^{\textrm{G}_{\alpha}}$, motivated by limiting cases, which leads to an intuitive interpolation between forward and reverse KL in the space of both distributions and divergences. We motivate its potential benefits for VAEs through low-dimensional examples, before presenting quantitative and qualitative results. Our experiments demonstrate that skewing our variant of $\textrm{JS}^{\textrm{G}_{\alpha}}$, in the context of $\textrm{JS}^{\textrm{G}_{\alpha}}$-VAEs, leads to better reconstruction and generation when compared to several baseline VAEs. Our approach is entirely unsupervised and utilises only one hyperparameter which can be easily interpreted in latent space.
Density deconvolution is the task of estimating a probability density function given only noise-corrupted samples. We can fit a Gaussian mixture model to the underlying density by maximum likelihood if the noise is normally distributed, but would like to exploit the superior density estimation performance of normalizing flows and allow for arbitrary noise distributions. Since both adjustments lead to an intractable likelihood, we resort to amortized variational inference. We demonstrate some problems involved in this approach, however, experiments on real data demonstrate that flows can already out-perform Gaussian mixtures for density deconvolution.
Despite their popularity, to date, the application of normalizing flows on categorical data stays limited. The current practice of using dequantization to map discrete data to a continuous space is inapplicable as categorical data has no intrinsic order. Instead, categorical data have complex and latent relations that must be inferred, like the synonymy between words. In this paper, we investigate \emph{Categorical Normalizing Flows}, that is normalizing flows for categorical data. By casting the encoding of categorical data in continuous space as a variational inference problem, we jointly optimize the continuous representation and the model likelihood. Using a factorized decoder, we introduce an inductive bias to model any interactions in the normalizing flow. As a consequence, we do not only simplify the optimization compared to having a joint decoder, but also make it possible to scale up to a large number of categories that is currently impossible with discrete normalizing flows. Based on Categorical Normalizing Flows, we propose GraphCNF a permutation-invariant generative model on graphs. GraphCNF implements a three step approach modeling the nodes, edges and adjacency matrix stepwise to increase efficiency. On molecule generation, GraphCNF outperforms both one-shot and autoregressive flow-based state-of-the-art.
A common problem in neuroscience is to elucidate the collective neural representations of behaviorally important variables such as head direction, spatial location, upcoming movements, or mental spatial transformations. Often, these latent variables are internal constructs not directly accessible to the experimenter. Here, we propose a new probabilistic latent variable model to simultaneously identify the latent state and the way each neuron contributes to its representation in an unsupervised way. In contrast to previous models which assume Euclidean latent spaces, we embrace the fact that latent states often belong to symmetric manifolds such as spheres, tori, or rotation groups of various dimensions. We therefore propose the manifold Gaussian process latent variable model (mGPLVM), where neural responses arise from (i) a shared latent variable living on a specific manifold, and (ii) a set of non-parametric tuning curves determining how each neuron contributes to the representation. Cross-validated comparisons of models with different topologies can be used to distinguish between candidate manifolds, and variational inference enables quantification of uncertainty. We demonstrate the validity of the approach on several synthetic datasets, as well as on calcium recordings from the ellipsoid body of Drosophila melanogaster and extracellular recordings from the mouse anterodorsal thalamic nucleus. These circuits are both known to encode head direction, and mGPLVM correctly recovers the ring topology expected from neural populations representing a single angular variable.
We formulate a general framework for building structural causal models (SCMs) with deep learning components. The proposed approach employs normalising flows and variational inference to enable tractable inference of exogenous noise variables - a crucial step for counterfactual inference that is missing from existing deep causal learning methods. Our framework is validated on a synthetic dataset built on MNIST as well as on a real-world medical dataset of brain MRI scans. Our experimental results indicate that we can successfully train deep SCMs that are capable of all three levels of Pearl's ladder of causation: association, intervention, and counterfactuals, giving rise to a powerful new approach for answering causal questions in imaging applications and beyond. The code for all our experiments is available at https://github.com/biomedia-mira/deepscm.
Mobility-on-demand (MoD) systems represent a rapidly developing mode of transportation wherein travel requests are dynamically handled by a coordinated fleet of vehicles. Crucially, the efficiency of an MoD system highly depends on how well supply and demand distributions are aligned in spatio-temporal space (i.e., to satisfy user demand, cars have to be available in the correct place and at the desired time). To do so, we argue that predictive models should aim to explicitly disentangle between temporal} and spatial variability in the evolution of urban mobility demand. However, current approaches typically ignore this distinction by either treating both sources of variability jointly, or completely ignoring their presence in the first place. In this paper, we propose recurrent flow networks (RFN), where we explore the inclusion of (i) latent random variables in the hidden state of recurrent neural networks to model temporal variability, and (ii) normalizing flows to model the spatial distribution of mobility demand. We demonstrate how predictive models explicitly disentangling between spatial and temporal variability exhibit several desirable properties, and empirically show how this enables the generation of distributions matching potentially complex urban topologies.
The coronavirus disease 2019 (COVID-19) global pandemic has led many countries to impose unprecedented lockdown measures in order to slow down the outbreak. Questions on whether governments have acted promptly enough, and whether lockdown measures can be lifted soon have since been central in public discourse. Data-driven models that predict COVID-19 fatalities under different lockdown policy scenarios are essential for addressing these questions and informing governments on future policy directions. To this end, this paper develops a Bayesian model for predicting the effects of COVID-19 lockdown policies in a global context -- we treat each country as a distinct data point, and exploit variations of policies across countries to learn country-specific policy effects. Our model utilizes a two-layer Gaussian process (GP) prior -- the lower layer uses a compartmental SEIR (Susceptible, Exposed, Infected, Recovered) model as a prior mean function with "country-and-policy-specific" parameters that capture fatality curves under "counterfactual" policies within each country, whereas the upper layer is shared across all countries, and learns lower-layer SEIR parameters as a function of a country's features and its policy indicators. Our model combines the solid mechanistic foundations of SEIR models (Bayesian priors) with the flexible data-driven modeling and gradient-based optimization routines of machine learning (Bayesian posteriors) -- i.e., the entire model is trained end-to-end via stochastic variational inference. We compare the projections of COVID-19 fatalities by our model with other models listed by the Center for Disease Control (CDC), and provide scenario analyses for various lockdown and reopening strategies highlighting their impact on COVID-19 fatalities.
Functional Distributional Semantics provides a linguistically interpretable framework for distributional semantics, by representing the meaning of a word as a function (a binary classifier), instead of a vector. However, the large number of latent variables means that inference is computationally expensive, and training a model is therefore slow to converge. In this paper, I introduce the Pixie Autoencoder, which augments the generative model of Functional Distributional Semantics with a graph-convolutional neural network to perform amortised variational inference. This allows the model to be trained more effectively, achieving better results on two tasks (semantic similarity in context and semantic composition), and outperforming BERT, a large pre-trained language model.
Neural networks are known to suffer from catastrophic forgetting when trained on sequential datasets. While there have been numerous attempts to solve this problem in large-scale supervised classification, little has been done to overcome catastrophic forgetting in few-shot classification problems. We demonstrate that the popular gradient-based model-agnostic meta-learning algorithm (MAML) indeed suffers from catastrophic forgetting and introduce a Bayesian online meta-learning framework that tackles this problem. Our framework utilises Bayesian online learning and meta-learning along with Laplace approximation and variational inference to overcome catastrophic forgetting in few-shot classification problems. The experimental evaluations demonstrate that our framework can effectively achieve this goal in comparison with various baselines. As an additional utility, we also demonstrate empirically that our framework is capable of meta-learning on sequentially arriving few-shot tasks from a stationary task distribution.
In many applications, it is desirable to extract only the relevant information from complex input data, which involves making a decision about which input features are relevant. The information bottleneck method formalizes this as an information-theoretic optimization problem by maintaining an optimal tradeoff between compression (throwing away irrelevant input information), and predicting the target. In many problem settings, including the reinforcement learning problems we consider in this work, we might prefer to compress only part of the input. This is typically the case when we have a standard conditioning input, such as a state observation, and a "privileged" input, which might correspond to the goal of a task, the output of a costly planning algorithm, or communication with another agent. In such cases, we might prefer to compress the privileged input, either to achieve better generalization (e.g., with respect to goals) or to minimize access to costly information (e.g., in the case of communication). Practical implementations of the information bottleneck based on variational inference require access to the privileged input in order to compute the bottleneck variable, so although they perform compression, this compression operation itself needs unrestricted, lossless access. In this work, we propose the variational bandwidth bottleneck, which decides for each example on the estimated value of the privileged information before seeing it, i.e., only based on the standard input, and then accordingly chooses stochastically, whether to access the privileged input or not. We formulate a tractable approximation to this framework and demonstrate in a series of reinforcement learning experiments that it can improve generalization and reduce access to computationally costly information.
We propose a meta-learning approach that learns from multiple tasks in a transductive setting, by leveraging the unlabeled query set in addition to the support set to generate a more powerful model for each task. To develop our framework, we revisit the empirical Bayes formulation for multi-task learning. The evidence lower bound of the marginal log-likelihood of empirical Bayes decomposes as a sum of local KL divergences between the variational posterior and the true posterior on the query set of each task. We derive a novel amortized variational inference that couples all the variational posteriors via a meta-model, which consists of a synthetic gradient network and an initialization network. Each variational posterior is derived from synthetic gradient descent to approximate the true posterior on the query set, although where we do not have access to the true gradient. Our results on the Mini-ImageNet and CIFAR-FS benchmarks for episodic few-shot classification outperform previous state-of-the-art methods. Besides, we conduct two zero-shot learning experiments to further explore the potential of the synthetic gradient.
Variational Autoencoder (VAE) is widely used as a generative model to approximate a model's posterior on latent variables by combining the amortized variational inference and deep neural networks. However, when paired with strong autoregressive decoders, VAE often converges to a degenerated local optimum known as "posterior collapse". Previous approaches consider the Kullback Leibler divergence (KL) individual for each datapoint. We propose to let the KL follow a distribution across the whole dataset, and analyze that it is sufficient to prevent posterior collapse by keeping the expectation of the KL's distribution positive. Then we propose Batch Normalized-VAE (BN-VAE), a simple but effective approach to set a lower bound of the expectation by regularizing the distribution of the approximate posterior's parameters. Without introducing any new model component or modifying the objective, our approach can avoid the posterior collapse effectively and efficiently. We further show that the proposed BN-VAE can be extended to conditional VAE (CVAE). Empirically, our approach surpasses strong autoregressive baselines on language modeling, text classification and dialogue generation, and rivals more complex approaches while keeping almost the same training time as VAE.
Variational autoencoders (VAEs) combine latent variables with amortized variational inference, whose optimization usually converges into a trivial local optimum termed posterior collapse, especially in text modeling. By tracking the optimization dynamics, we observe the encoder-decoder incompatibility that leads to poor parameterizations of the data manifold. We argue that the trivial local optimum may be avoided by improving the encoder and decoder parameterizations since the posterior network is part of a transition map between them. To this end, we propose Coupled-VAE, which couples a VAE model with a deterministic autoencoder with the same structure and improves the encoder and decoder parameterizations via encoder weight sharing and decoder signal matching. We apply the proposed Coupled-VAE approach to various VAE models with different regularization, posterior family, decoder structure, and optimization strategy. Experiments on benchmark datasets (i.e., PTB, Yelp, and Yahoo) show consistently improved results in terms of probability estimation and richness of the latent space. We also generalize our method to conditional language modeling and propose Coupled-CVAE, which largely improves the diversity of dialogue generation on the Switchboard dataset.
Document editing has become a pervasive component of the production of information, with version control systems enabling edits to be efficiently stored and applied. In light of this, the task of learning distributed representations of edits has been recently proposed. With this in mind, we propose a novel approach that employs variational inference to learn a continuous latent space of vector representations to capture the underlying semantic information with regard to the document editing process. We achieve this by introducing a latent variable to explicitly model the aforementioned features. This latent variable is then combined with a document representation to guide the generation of an edited version of this document. Additionally, to facilitate standardized automatic evaluation of edit representations, which has heavily relied on direct human input thus far, we also propose a suite of downstream tasks, PEER, specifically designed to measure the quality of edit representations in the context of natural language processing.
Many data sets (e.g., reviews, forums, news, etc.) exist parallelly in multiple languages. They all cover the same content, but the linguistic differences make it impossible to use traditional, bag-of-word-based topic models. Models have to be either single-language or suffer from a huge, but extremely sparse vocabulary. Both issues can be addressed by transfer learning. In this paper, we introduce a zero-shot cross-lingual topic model. Our model learns topics on one language (here, English), and predicts them for unseen documents in different languages (here, Italian, French, German, and Portuguese). We evaluate the quality of the topic predictions for the same document in different languages. Our results show that the transferred topics are coherent and stable across languages, which suggests exciting future research directions.
We introduce a new variational inference (VI) framework, called energetic variational inference (EVI). It minimizes the VI objective function based on a prescribed energy-dissipation law. Using the EVI framework, we can derive many existing Particle-based Variational Inference (ParVI) methods, including the popular Stein Variational Gradient Descent (SVGD) approach. More importantly, many new ParVI schemes can be created under this framework. For illustration, we propose a new particle-based EVI scheme, which performs the particle-based approximation of the density first and then uses the approximated density in the variational procedure, or "Approximation-then-Variation" for short. Thanks to this order of approximation and variation, the new scheme can maintain the variational structure at the particle level, and can significantly decrease the KL-divergence in each iteration. Numerical experiments show the proposed method outperforms some existing ParVI methods in terms of fidelity to the target distribution.
We introduce Exemplar VAEs, a family of generative models that bridge the gap between parametric and non-parametric, exemplar based generative models. Exemplar VAE is a variant of VAE with a non-parametric prior in the latent space based on a Parzen window estimator. To sample from it, one first draws a random exemplar from a training set, then stochastically transforms that exemplar into a latent code and a new observation. We propose retrieval augmented training (RAT) as a way to speed up Exemplar VAE training by using approximate nearest neighbor search in the latent space to define a lower bound on log marginal likelihood. To enhance generalization, model parameters are learned using exemplar leave-one-out and subsampling. Experiments demonstrate the effectiveness of Exemplar VAEs on density estimation and representation learning. Importantly, generative data augmentation using Exemplar VAEs on permutation invariant MNIST and Fashion MNIST reduces classification error from 1.17% to 0.69% and from 8.56% to 8.16%.
Topic models extract groups of words from documents, whose interpretation as a topic hopefully allows for a better understanding of the data. However, the resulting word groups are often not coherent, making them harder to interpret. Recently, neural topic models have shown improvements in overall coherence. Concurrently, contextual embeddings have advanced the state of the art of neural models in general. In this paper, we combine contextualized representations with neural topic models. We find that our approach produces more meaningful and coherent topics than traditional bag-of-words topic models and recent neural models. Our results indicate that future improvements in language models will translate into better topic models.
This paper presents the system used in our submission to the \textit{CoNLL 2019 shared task: Cross-Framework Meaning Representation Parsing}. Our system is a graph-based parser which combines an extended pointer-generator network that generates nodes and a second-order mean field variational inference module that predicts edges. Our system achieved \nth{1} and \nth{2} place for the DM and PSD frameworks respectively on the in-framework ranks and achieved \nth{3} place for the DM framework on the cross-framework ranks.
With the advancements of computer architectures, the use of computational models proliferates to solve complex problems in many scientific applications such as nuclear physics and climate research. However, the potential of such models is often hindered because they tend to be computationally expensive and consequently ill-fitting for uncertainty quantification. Furthermore, they are usually not calibrated with real-time observations. We develop a computationally efficient algorithm based on variational Bayes inference (VBI) for calibration of computer models with Gaussian processes. Unfortunately, the speed and scalability of VBI diminishes when applied to the calibration framework with dependent data. To preserve the efficiency of VBI, we adopt a pairwise decomposition of the data likelihood using vine copulas that separate the information on dependence structure in data from their marginal distributions. We provide both theoretical and empirical evidence for the computational scalability of our methodology and describe all the necessary details for an efficient implementation of the proposed algorithm. We also demonstrate the opportunities given by our method for practitioners on a real data example through calibration of the Liquid Drop Model of nuclear binding energies.