A nonparametric family of conditional distributions is introduced, which generalizes conditional exponential families using functional parameters in a suitable RKHS. An algorithm is provided for learning the generalized natural parameter, and consistency of the estimator is established in the well specified case. In experiments, the new method generally outperforms a competing approach with consistency guarantees, and is competitive with a deep conditional density model on datasets that exhibit abrupt transitions and heteroscedasticity.

As technology becomes more advanced, those who design, use and are otherwise affected by it want to know that it will perform correctly, and understand why it does what it does, and how to use it appropriately. In essence they want to be able to trust the systems that are being designed. In this survey we present assurances that are the method by which users can understand how to trust autonomous systems. Trust between humans and autonomy is reviewed, and the implications for the design of assurances are highlighted. A survey of existing research related to assurances is presented. Much of the surveyed research originates from fields such as interpretable, comprehensible, transparent, and explainable machine learning, as well as human-computer interaction, human-robot interaction, and e-commerce. Several key ideas are extracted from this work in order to refine the definition of assurances. The design of assurances is found to be highly dependent not only on the capabilities of the autonomous system, but on the characteristics of the human user, and the appropriate trust-related behaviors. Several directions for future research are identified and discussed.

This preprint has been reviewed and recommended by Peer Community In Evolutionary Biology (http://dx.doi.org/10.24072/pci.evolbiol.100036). Approximate Bayesian computation (ABC) has grown into a standard methodology that manages Bayesian inference for models associated with intractable likelihood functions. Most ABC implementations require the preliminary selection of a vector of informative statistics summarizing raw data. Furthermore, in almost all existing implementations, the tolerance level that separates acceptance from rejection of simulated parameter values needs to be calibrated. We propose to conduct likelihood-free Bayesian inferences about parameters with no prior selection of the relevant components of the summary statistics and bypassing the derivation of the associated tolerance level. The approach relies on the random forest methodology of Breiman (2001) applied in a (non parametric) regression setting. We advocate the derivation of a new random forest for each component of the parameter vector of interest. When compared with earlier ABC solutions, this method offers significant gains in terms of robustness to the choice of the summary statistics, does not depend on any type of tolerance level, and is a good trade-off in term of quality of point estimator precision and credible interval estimations for a given computing time. We illustrate the performance of our methodological proposal and compare it with earlier ABC methods on a Normal toy example and a population genetics example dealing with human population evolution. All methods designed here have been incorporated in the R package abcrf (version 1.7) available on CRAN.

This repository contains the Tensorflow implementation of the Bayesian GAN by Yunus Saatchi and Andrew Gordon Wilson. This paper will be appearing at NIPS 2017. In the Bayesian GAN we propose conditional posteriors for the generator and discriminator weights, and marginalize these posteriors through stochastic gradient Hamiltonian Monte Carlo. Key properties of the Bayesian approach to GANs include (1) accurate predictions on semi-supervised learning problems; (2) minimal intervention for good performance; (3) a probabilistic formulation for inference in response to adversarial feedback; (4) avoidance of mode collapse; and (5) a representation of multiple complementary generative and discriminative models for data, forming a probabilistic ensemble. We illustrate a multimodal posterior over the parameters of the generator.

The extended model(s) can again be subjected to criticism, and the process continues until a satisfactory model is found (O'Hagan, 2003). Model criticism is contrasted with model comparison in that model criticism assesses a single model, while model comparison deals with at least two models to decide which model is a better fit. Model comparison can be applied to compare the original and the extended model after model criticism and extension (O'Hagan, 2003, p. 2). Most work on model criticism makes use of the idea that "if the model fits, then replicated data generated under the model should look similar to observed data" (Gelman et al., 2004, p. 165). In contrast, in this paper we focus on the idea that for latent variable models, we can probabilistically pull back the data into the space of the latent variables, and carry out model criticism in that space.

Stein variational gradient descent (SVGD) is a nonparametric inference method, which iteratively transports a set of randomly initialized particles to approximate a differentiable target distribution, along the direction that maximally decreases the KL divergence within a vector-valued reproducing kernel Hilbert space (RKHS). Compared to Monte Carlo methods, SVGD is particle-efficient because of the repulsive force induced by kernels. In this paper, we develop the first analysis about the high dimensional performance of SVGD and emonstrate that the repulsive force drops at least polynomially with increasing dimensions, which results in poor marginal approximation. To improve the marginal inference of SVGD, we propose Marginal SVGD (M-SVGD), which incorporates structural information described by a Markov random field (MRF) into kernels. M-SVGD inherits the particle efficiency of SVGD and can be used as a general purpose marginal inference tool for MRFs. Experimental results on grid based Markov random fields show the effectiveness of our methods.

Generalized linear models (GLMs) -- such as logistic regression, Poisson regression, and robust regression -- provide interpretable models for diverse data types. Probabilistic approaches, particularly Bayesian ones, allow coherent estimates of uncertainty, incorporation of prior information, and sharing of power across experiments via hierarchical models. In practice, however, the approximate Bayesian methods necessary for inference have either failed to scale to large data sets or failed to provide theoretical guarantees on the quality of inference. We propose a new approach based on constructing polynomial approximate sufficient statistics for GLMs (PASS-GLM). We demonstrate that our method admits a simple algorithm as well as trivial streaming and distributed extensions that do not compound error across computations. We provide theoretical guarantees on the quality of point (MAP) estimates, the approximate posterior, and posterior mean and uncertainty estimates. We validate our approach empirically in the case of logistic regression using a quadratic approximation and show competitive performance with stochastic gradient descent, MCMC, and the Laplace approximation in terms of speed and multiple measures of accuracy -- including on an advertising data set with 40 million data points and 20,000 covariates.

Variational autoencoders (VAEs) learn representations of data by jointly training a probabilistic encoder and decoder network. Typically these models encode all features of the data into a single variable. Here we are interested in learning disentangled representations that encode distinct aspects of the data into separate variables. We propose to learn such representations using model architectures that generalise from standard VAEs, employing a general graphical model structure in the encoder and decoder. This allows us to train partially-specified models that make relatively strong assumptions about a subset of interpretable variables and rely on the flexibility of neural networks to learn representations for the remaining variables. We further define a general objective for semi-supervised learning in this model class, which can be approximated using an importance sampling procedure. We evaluate our framework's ability to learn disentangled representations, both by qualitative exploration of its generative capacity, and quantitative evaluation of its discriminative ability on a variety of models and datasets.

Deep learning is a form of machine learning for nonlinear high dimensional pattern matching and prediction. By taking a Bayesian probabilistic perspective, we provide a number of insights into more efficient algorithms for optimisation and hyper-parameter tuning. Traditional high-dimensional data reduction techniques, such as principal component analysis (PCA), partial least squares (PLS), reduced rank regression (RRR), projection pursuit regression (PPR) are all shown to be shallow learners. Their deep learning counterparts exploit multiple deep layers of data reduction which provide predictive performance gains. Stochastic gradient descent (SGD) training optimisation and Dropout (DO) regularization provide estimation and variable selection. Bayesian regularization is central to finding weights and connections in networks to optimize the predictive bias-variance trade-off. To illustrate our methodology, we provide an analysis of international bookings on Airbnb. Finally, we conclude with directions for future research.

Data science models, although successful in a number of commercial domains, have had limited applicability in scientific problems involving complex physical phenomena. Theory-guided data science (TGDS) is an emerging paradigm that aims to leverage the wealth of scientific knowledge for improving the effectiveness of data science models in enabling scientific discovery. The overarching vision of TGDS is to introduce scientific consistency as an essential component for learning generalizable models. Further, by producing scientifically interpretable models, TGDS aims to advance our scientific understanding by discovering novel domain insights. Indeed, the paradigm of TGDS has started to gain prominence in a number of scientific disciplines such as turbulence modeling, material discovery, quantum chemistry, bio-medical science, bio-marker discovery, climate science, and hydrology. In this paper, we formally conceptualize the paradigm of TGDS and present a taxonomy of research themes in TGDS. We describe several approaches for integrating domain knowledge in different research themes using illustrative examples from different disciplines. We also highlight some of the promising avenues of novel research for realizing the full potential of theory-guided data science.