Juho Piironen

Homayun Afrabandpey, Tomi Peltola, Juho Piironen et al.

A salient approach to interpretable machine learning is to restrict modeling to simple models. In the Bayesian framework, this can be pursued by restricting the model structure and prior to favor interpretable models. Fundamentally, however, interpretability is about users' preferences, not the data generation mechanism; it is more natural to formulate interpretability as a utility function. In this work, we propose an interpretability utility, which explicates the trade-off between explanation fidelity and interpretability in the Bayesian framework. The method consists of two steps. First, a reference model, possibly a black-box Bayesian predictive model which does not compromise accuracy, is fitted to the training data. Second, a proxy model from an interpretable model family that best mimics the predictive behaviour of the reference model is found by optimizing the interpretability utility function. The approach is model agnostic -- neither the interpretable model nor the reference model are restricted to a certain class of models -- and the optimization problem can be solved using standard tools. Through experiments on real-word data sets, using decision trees as interpretable models and Bayesian additive regression models as reference models, we show that for the same level of interpretability, our approach generates more accurate models than the alternative of restricting the prior. We also propose a systematic way to measure stability of interpretabile models constructed by different interpretability approaches and show that our proposed approach generates more stable models.

Topi Paananen, Juho Piironen, Paul-Christian Bürkner et al.

Adaptive importance sampling is a class of techniques for finding good proposal distributions for importance sampling. Often the proposal distributions are standard probability distributions whose parameters are adapted based on the mismatch between the current proposal and a target distribution. In this work, we present an implicit adaptive importance sampling method that applies to complicated distributions which are not available in closed form. The method iteratively matches the moments of a set of Monte Carlo draws to weighted moments based on importance weights. We apply the method to Bayesian leave-one-out cross-validation and show that it performs better than many existing parametric adaptive importance sampling methods while being computationally inexpensive.

Juho Piironen, Markus Paasiniemi, Aki Vehtari

This paper discusses predictive inference and feature selection for generalized linear models with scarce but high-dimensional data. We argue that in many cases one can benefit from a decision theoretically justified two-stage approach: first, construct a possibly non-sparse model that predicts well, and then find a minimal subset of features that characterize the predictions. The model built in the first step is referred to as the \emph{reference model} and the operation during the latter step as predictive \emph{projection}. The key characteristic of this approach is that it finds an excellent tradeoff between sparsity and predictive accuracy, and the gain comes from utilizing all available information including prior and that coming from the left out features. We review several methods that follow this principle and provide novel methodological contributions. We present a new projection technique that unifies two existing techniques and is both accurate and fast to compute. We also propose a way of evaluating the feature selection process using fast leave-one-out cross-validation that allows for easy and intuitive model size selection. Furthermore, we prove a theorem that helps to understand the conditions under which the projective approach could be beneficial. The benefits are illustrated via several simulated and real world examples.

Topi Paananen, Juho Piironen, Michael Riis Andersen et al.

Variable selection for Gaussian process models is often done using automatic relevance determination, which uses the inverse length-scale parameter of each input variable as a proxy for variable relevance. This implicitly determined relevance has several drawbacks that prevent the selection of optimal input variables in terms of predictive performance. To improve on this, we propose two novel variable selection methods for Gaussian process models that utilize the predictions of a full model in the vicinity of the training points and thereby rank the variables based on their predictive relevance. Our empirical results on synthetic and real world data sets demonstrate improved variable selection compared to automatic relevance determination in terms of variability and predictive performance.

Juho Piironen, Aki Vehtari

The goal of this paper is to compare several widely used Bayesian model selection methods in practical model selection problems, highlight their differences and give recommendations about the preferred approaches. We focus on the variable subset selection for regression and classification and perform several numerical experiments using both simulated and real world data. The results show that the optimization of a utility estimate such as the cross-validation (CV) score is liable to finding overfitted models due to relatively high variance in the utility estimates when the data is scarce. This can also lead to substantial selection induced bias and optimism in the performance evaluation for the selected model. From a predictive viewpoint, best results are obtained by accounting for model uncertainty by forming the full encompassing model, such as the Bayesian model averaging solution over the candidate models. If the encompassing model is too complex, it can be robustly simplified by the projection method, in which the information of the full model is projected onto the submodels. This approach is substantially less prone to overfitting than selection based on CV-score. Overall, the projection method appears to outperform also the maximum a posteriori model and the selection of the most probable variables. The study also demonstrates that the model selection can greatly benefit from using cross-validation outside the searching process both for guiding the model size selection and assessing the predictive performance of the finally selected model.