This is the Proceedings of the 2017 ICML Workshop on Human Interpretability in Machine Learning (WHI 2017), which was held in Sydney, Australia, August 10, 2017. Invited speakers were Tony Jebara, Pang Wei Koh, and David Sontag.

Multilayer graphs provide a framework for representing multiple types of relations between entities, represented as nodes. In a multilayer graph each layer describes a specific type of relation among pairs of nodes that are shared across layers. For example, in multi-relational social networks, two layers might correspond to friendship relations and business relations, respectively. In temporal networks, each layer might correspond to a snapshot of the entire network at a sampled time instant. Multilayer graphs can be incorporated into in many signal processing and data mining techniques, including inference of mixture models [1], [2], tensor decomposition [3], information extraction [4], multi-view learning and processing [5], graph wavelet transforms [6], principal component analysis and dictionary learning [7], [8], anomaly detection [9], and community detection [10], [11], among others. The objective of multilayer graph clustering is to find a consensus cluster assignment on each node in the common node set by combining connectivity patterns in each layer.

Factor graphs are important models for succinctly representing probability distributions in machine learning, coding theory, and statistical physics. Several computational problems, such as computing marginals and partition functions, arise naturally when working with factor graphs. Belief propagation is a widely deployed iterative method for solving these problems. However, despite its significant empirical success, not much is known about the correctness and efficiency of belief propagation. Bethe approximation is an optimization-based framework for approximating partition functions. While it is known that the stationary points of the Bethe approximation coincide with the fixed points of belief propagation, in general, the relation between the Bethe approximation and the partition function is not well understood. It has been observed that for a few classes of factor graphs, the Bethe approximation always gives a lower bound to the partition function, which distinguishes them from the general case, where neither a lower bound, nor an upper bound holds universally. This has been rigorously proved for permanents and for attractive graphical models. Here we consider bipartite normal factor graphs and show that if the local constraints satisfy a certain analytic property, the Bethe approximation is a lower bound to the partition function. We arrive at this result by viewing factor graphs through the lens of polynomials. In this process, we reformulate the Bethe approximation as a polynomial optimization problem. Our sufficient condition for the lower bound property to hold is inspired by recent developments in the theory of real stable polynomials. We believe that this way of viewing factor graphs and its connection to real stability might lead to a better understanding of belief propagation and factor graphs in general.

We propose a method for learning Markov network structures for continuous data without invoking any assumptions about the distribution of the variables. The method makes use of previous work on a non-parametric estimator for mutual information which is used to create a non-parametric test for multivariate conditional independence. This independence test is then combined with an efficient constraint-based algorithm for learning the graph structure. The performance of the method is evaluated on several synthetic data sets and it is shown to learn considerably more accurate structures than competing methods when the dependencies between the variables involve non-linearities.

In this paper we study how to learn stochastic, multimodal transition dynamics in reinforcement learning (RL) tasks. We focus on evaluating transition function estimation, while we defer planning over this model to future work. Stochasticity is a fundamental property of many task environments. However, discriminative function approximators have difficulty estimating multimodal stochasticity. In contrast, deep generative models do capture complex high-dimensional outcome distributions. First we discuss why, amongst such models, conditional variational inference (VI) is theoretically most appealing for model-based RL. Subsequently, we compare different VI models on their ability to learn complex stochasticity on simulated functions, as well as on a typical RL gridworld with multimodal dynamics. Results show VI successfully predicts multimodal outcomes, but also robustly ignores these for deterministic parts of the transition dynamics. In summary, we show a robust method to learn multimodal transitions using function approximation, which is a key preliminary for model-based RL in stochastic domains.

While deep learning models have achieved state-of-the-art accuracies for many prediction tasks, understanding these models remains a challenge. Despite the recent interest in developing visual tools to help users interpret deep learning models, the complexity and wide variety of models deployed in industry, and the large-scale datasets that they used, pose unique design challenges that are inadequately addressed by existing work. Through participatory design sessions with over 15 researchers and engineers at Facebook, we have developed, deployed, and iteratively improved ActiVis, an interactive visualization system for interpreting large-scale deep learning models and results. By tightly integrating multiple coordinated views, such as a computation graph overview of the model architecture, and a neuron activation view for pattern discovery and comparison, users can explore complex deep neural network models at both the instance- and subset-level. ActiVis has been deployed on Facebook's machine learning platform. We present case studies with Facebook researchers and engineers, and usage scenarios of how ActiVis may work with different models.

Circular variables arise in a multitude of data-modelling contexts ranging from robotics to the social sciences, but they have been largely overlooked by the machine learning community. This paper partially redresses this imbalance by extending some standard probabilistic modelling tools to the circular domain. First we introduce a new multivariate distribution over circular variables, called the multivariate Generalised von Mises (mGvM) distribution. This distribution can be constructed by restricting and renormalising a general multivariate Gaussian distribution to the unit hyper-torus. Previously proposed multivariate circular distributions are shown to be special cases of this construction. Second, we introduce a new probabilistic model for circular regression, that is inspired by Gaussian Processes, and a method for probabilistic principal component analysis with circular hidden variables. These models can leverage standard modelling tools (e.g. covariance functions and methods for automatic relevance determination). Third, we show that the posterior distribution in these models is a mGvM distribution which enables development of an efficient variational free-energy scheme for performing approximate inference and approximate maximum-likelihood learning.

The article describe the model, derivation, and implementation of variational Bayesian inference for linear and logistic regression, both with and without automatic relevance determination. It has the dual function of acting as a tutorial for the derivation of variational Bayesian inference for simple models, as well as documenting, and providing brief examples for the MATLABfunctions that implement this inference. These functions are freely available online. 1. Introduction Linear and logistic regression are essential workhorses of statistical analysis, whose Bayesian treatment has received much recent attention (Gelman et al., 2013; Bishop, 2006; Murphy, 2012; Hastie et al., 2011). These allow specifying the a-priori uncertainty and infer a-posteriori uncertainty about regression coefficients explic-ity and hierarchically, by, for example, specifying how uncertain we are a-priori that these coefficients are small. However, Bayesian inference in such hierarchical models quickly becomes intractable, such that recent effort has focused on approximate inference, like Markov Chain Monte Carlo methods (Gilks et al., 1995), or variational Bayesian approximation (Beal, 2003; Bishop, 2006; Murphy, 2012). Here, we describe such a variational treatment and implementation of Bayesian hierarchical models for both linear and logistic regression. Even though neither the statistical models nor their Bayesian approximation are particularly novel, the article provides a tutorial-style introduction to the derivation of their algorithms, together with a MATLABimplementation of these algorithms.

Abstract--Support V ector Data Description (SVDD) is a machine-learning technique used for single class classification and outlier detection. SVDD formulation with kernel function provides a flexible boundary around data. The value of kernel function parameters affects the nature of the data boundary. For example, it is observed that with a Gaussian kernel, as the value of kernel bandwidth is lowered, the data boundary changes from spherical to wiggly. The spherical data boundary leads to underfitting, and an extremely wiggly data boundary leads to overfitting. In this paper, we propose an empirical criterion to obtain good values of the Gaussian kernel bandwidth parameter . This criterion provides a smooth boundary that captures the essential geometric features of the data. Support V ector Data Description (SVDD) is a machine learning technique used for single-class classification and outlier detection.

Medical practitioners use survival models to explore and understand the relationships between patients' covariates (e.g. clinical and genetic features) and the effectiveness of various treatment options. Standard survival models like the linear Cox proportional hazards model require extensive feature engineering or prior medical knowledge to model treatment interaction at an individual level. While nonlinear survival methods, such as neural networks and survival forests, can inherently model these high-level interaction terms, they have yet to be shown as effective treatment recommender systems. We introduce DeepSurv, a Cox proportional hazards deep neural network and state-of-the-art survival method for modeling interactions between a patient's covariates and treatment effectiveness in order to provide personalized treatment recommendations. We perform a number of experiments training DeepSurv on simulated and real survival data. We demonstrate that DeepSurv performs as well as or better than other state-of-the-art survival models and validate that DeepSurv successfully models increasingly complex relationships between a patient's covariates and their risk of failure. We then show how DeepSurv models the relationship between a patient's features and effectiveness of different treatment options to show how DeepSurv can be used to provide individual treatment recommendations. Finally, we train DeepSurv on real clinical studies to demonstrate how it's personalized treatment recommendations would increase the survival time of a set of patients. The predictive and modeling capabilities of DeepSurv will enable medical researchers to use deep neural networks as a tool in their exploration, understanding, and prediction of the effects of a patient's characteristics on their risk of failure.