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Fast Automatic Smoothing for Generalized Additive Models

arXiv.org Machine Learning

Multiple generalized additive models (GAMs) are a type of distributional regression wherein parameters of probability distributions depend on predictors through smooth functions, with selection of the degree of smoothness via $L_2$ regularization. Multiple GAMs allow finer statistical inference by incorporating explanatory information in any or all of the parameters of the distribution. Owing to their nonlinearity, flexibility and interpretability, GAMs are widely used, but reliable and fast methods for automatic smoothing in large datasets are still lacking, despite recent advances. We develop a general methodology for automatically learning the optimal degree of $L_2$ regularization for multiple GAMs using an empirical Bayes approach. The smooth functions are penalized by different amounts, which are learned simultaneously by maximization of a marginal likelihood through an approximate expectation-maximization algorithm that involves a double Laplace approximation at the E-step, and leads to an efficient M-step. Empirical analysis shows that the resulting algorithm is numerically stable, faster than all existing methods and achieves state-of-the-art accuracy. For illustration, we apply it to an important and challenging problem in the analysis of extremal data.


Sparse-Group Bayesian Feature Selection Using Expectation Propagation for Signal Recovery and Network Reconstruction

arXiv.org Machine Learning

We present a Bayesian method for feature selection in the presence of grouping information with sparsity on the between- and within group level. Instead of using a stochastic algorithm for parameter inference, we employ expectation propagation, which is a deterministic and fast algorithm. Available methods for feature selection in the presence of grouping information have a number of short-comings: on one hand, lasso methods, while being fast, underestimate the regression coefficients and do not make good use of the grouping information, and on the other hand, Bayesian approaches, while accurate in parameter estimation, often rely on the stochastic and slow Gibbs sampling procedure to recover the parameters, rendering them infeasible e.g. for gene network reconstruction. Our approach of a Bayesian sparse-group framework with expectation propagation enables us to not only recover accurate parameter estimates in signal recovery problems, but also makes it possible to apply this Bayesian framework to large-scale network reconstruction problems. The presented method is generic but in terms of application we focus on gene regulatory networks. We show on simulated and experimental data that the method constitutes a good choice for network reconstruction regarding the number of correctly selected features, prediction on new data and reasonable computing time.


A Survey of Learning Causality with Data: Problems and Methods

arXiv.org Artificial Intelligence

The era of big data provides researchers with convenient access to copious data. However, people often have little knowledge about it. The increasing prevalence of big data is challenging the traditional methods of learning causality because they are developed for the cases with limited amount of data and solid prior causal knowledge. This survey aims to close the gap between big data and learning causality with a comprehensive and structured review of traditional and frontier methods and a discussion about some open problems of learning causality. We begin with preliminaries of learning causality. Then we categorize and revisit methods of learning causality for the typical problems and data types. After that, we discuss the connections between learning causality and machine learning. At the end, some open problems are presented to show the great potential of learning causality with data.


Flexible Mixture Modeling on Constrained Spaces

arXiv.org Machine Learning

This paper addresses challenges in flexibly modeling multimodal data that lie on constrained spaces. Applications include climate or crime measurements in a geographical area, or flow-cytometry experiments, where unsuitable recordings are discarded. A simple approach to modeling such data is through the use of mixture models, with each component following an appropriate truncated distribution. Problems arise when the truncation involves complicated constraints, leading to difficulties in specifying the component distributions, and in evaluating their normalization constants. Bayesian inference over the parameters of these models results in posterior distributions that are doubly-intractable. We address this problem via an algorithm based on rejection sampling and data augmentation. We view samples from a truncated distribution as outcomes of a rejection sampling scheme, where proposals are made from a simple mixture model, and are rejected if they violate the constraints. Our scheme proceeds by imputing the rejected samples given mixture parameters, and then resampling parameters given all samples. We study two modeling approaches: mixtures of truncated components and truncated mixtures of components. In both situations, we describe exact Markov chain Monte Carlo sampling algorithms, as well as approximations that bound the number of rejected samples, achieving computational efficiency and lower variance at the cost of asymptotic bias. Overall, our methodology only requires practitioners to provide an indicator function for the set of interest. We present results on simulated data and apply our algorithm to two problems, one involving flow-cytometry data, and the other, crime recorded in the city of Chicago.


Statistical Estimation of Malware Detection Metrics in the Absence of Ground Truth

arXiv.org Machine Learning

The accurate measurement of security metrics is a critical research problem because an improper or inaccurate measurement process can ruin the usefulness of the metrics, no matter how well they are defined. This is a highly challenging problem particularly when the ground truth is unknown or noisy. In contrast to the well perceived importance of defining security metrics, the measurement of security metrics has been little understood in the literature. In this paper, we measure five malware detection metrics in the {\em absence} of ground truth, which is a realistic setting that imposes many technical challenges. The ultimate goal is to develop principled, automated methods for measuring these metrics at the maximum accuracy possible. The problem naturally calls for investigations into statistical estimators by casting the measurement problem as a {\em statistical estimation} problem. We propose statistical estimators for these five malware detection metrics. By investigating the statistical properties of these estimators, we are able to characterize when the estimators are accurate, and what adjustments can be made to improve them under what circumstances. We use synthetic data with known ground truth to validate these statistical estimators. Then, we employ these estimators to measure five metrics with respect to a large dataset collected from VirusTotal. We believe our study touches upon a vital problem that has not been paid due attention and will inspire many future investigations.


On the Behavior of the Expectation-Maximization Algorithm for Mixture Models

arXiv.org Machine Learning

Finite mixture models are among the most popular statistical models used in different data science disciplines. Despite their broad applicability, inference under these models typically leads to computationally challenging non-convex problems. While the Expectation-Maximization (EM) algorithm is the most popular approach for solving these non-convex problems, the behavior of this algorithm is not well understood. In this work, we focus on the case of mixture of Laplacian (or Gaussian) distribution. We start by analyzing a simple equally weighted mixture of two single dimensional Laplacian distributions and show that every local optimum of the population maximum likelihood estimation problem is globally optimal. Then, we prove that the EM algorithm converges to the ground truth parameters almost surely with random initialization. Our result extends the existing results for Gaussian distribution to Laplacian distribution. Then we numerically study the behavior of mixture models with more than two components. Motivated by our extensive numerical experiments, we propose a novel stochastic method for estimating the mean of components of a mixture model. Our numerical experiments show that our algorithm outperforms the Naive EM algorithm in almost all scenarios.


Pachinko Prediction: A Bayesian method for event prediction from social media data

arXiv.org Machine Learning

Developing automated methods to give advance warning of large gatherings of people, such as protests and social unrest events, are of interest to government agencies worldwide. With such events often being organised over online social media platforms, there exists the possibility to provide prior warning of large events solely through monitoring online data streams. Researchers have used open online data sources such as Twitter (Borge-Holthoefer et al., 2016; Agarwal and Sureka, 2016), Facebook, Tumblr (Xu et al., 2014), and Flickr (Alanyali et al., 2015) to characterise information propagation processes around protests, and have deployed machine learning methods on social media as well as blogs, news sources, and the dark web (Korkmaz et al., 2016) to predict civil unrest events. Twitter data in particular has been used broadly to monitor diverse largescale trends such as stock behaviour (Bollen et al., 2011), public opinion polling around 1 issues like climate change (Cody et al., 2015), and health characteristics (Alajajian et al., 2017). Recent studies have focussed on Twitter's role in particular in mobilisation and discourse around protest action in the United States (Theocharis et al., 2015; Gallagher et al., 2018).


Medical Knowledge Embedding Based on Recursive Neural Network for Multi-Disease Diagnosis

arXiv.org Artificial Intelligence

The representation of knowledge based on first-order logic captures the richness of natural language and supports multiple probabilistic inference models. Although symbolic representation enables quantitative reasoning with statistical probability, it is difficult to utilize with machine learning models as they perform numerical operations. In contrast, knowledge embedding (i.e., high-dimensional and continuous vectors) is a feasible approach to complex reasoning that can not only retain the semantic information of knowledge but also establish the quantifiable relationship among them. In this paper, we propose recursive neural knowledge network (RNKN), which combines medical knowledge based on first-order logic with recursive neural network for multi-disease diagnosis. After RNKN is efficiently trained from manually annotated Chinese Electronic Medical Records (CEMRs), diagnosis-oriented knowledge embeddings and weight matrixes are learned. Experimental results verify that the diagnostic accuracy of RNKN is superior to that of some classical machine learning models and Markov logic network (MLN). The results also demonstrate that the more explicit the evidence extracted from CEMRs is, the better is the performance achieved. RNKN gradually exhibits the interpretation of knowledge embeddings as the number of training epochs increases.


Stochasticity from function - why the Bayesian brain may need no noise

arXiv.org Machine Learning

An increasing body of evidence suggests that the trial-to-trial variability of spiking activity in the brain is not mere noise, but rather the reflection of a sampling-based encoding scheme for probabilistic computing. Since the precise statistical properties of neural activity are important in this context, many models assume an ad-hoc source of well-behaved, explicit noise, either on the input or on the output side of single neuron dynamics, most often assuming an independent Poisson process in either case. However, these assumptions are somewhat problematic: neighboring neurons tend to share receptive fields, rendering both their input and their output correlated; at the same time, neurons are known to behave largely deterministically, as a function of their membrane potential and conductance. We suggest that spiking neural networks may, in fact, have no need for noise to perform sampling-based Bayesian inference. We study analytically the effect of auto- and cross-correlations in functionally Bayesian spiking networks and demonstrate how their effect translates to synaptic interaction strengths, rendering them controllable through synaptic plasticity. This allows even small ensembles of interconnected deterministic spiking networks to simultaneously and co-dependently shape their output activity through learning, enabling them to perform complex Bayesian computation without any need for noise, which we demonstrate in silico, both in classical simulation and in neuromorphic emulation. These results close a gap between the abstract models and the biology of functionally Bayesian spiking networks, effectively reducing the architectural constraints imposed on physical neural substrates required to perform probabilistic computing, be they biological or artificial.


Quantifying total uncertainty in physics-informed neural networks for solving forward and inverse stochastic problems

arXiv.org Machine Learning

Physics-informed neural networks (PINNs) have recently emerged as an alternative way of solving partial differential equations (PDEs) without the need of building elaborate grids, instead, using a straightforward implementation. In particular, in addition to the deep neural network (DNN) for the solution, a second DNN is considered that represents the residual of the PDE. The residual is then combined with the mismatch in the given data of the solution in order to formulate the loss function. This framework is effective but is lacking uncertainty quantification of the solution due to the inherent randomness in the data or due to the approximation limitations of the DNN architecture. Here, we propose a new method with the objective of endowing the DNN with uncertainty quantification for both sources of uncertainty, i.e., the parametric uncertainty and the approximation uncertainty. We first account for the parametric uncertainty when the parameter in the differential equation is represented as a stochastic process. Multiple DNNs are designed to learn the modal functions of the arbitrary polynomial chaos (aPC) expansion of its solution by using stochastic data from sparse sensors. We can then make predictions from new sensor measurements very efficiently with the trained DNNs. Moreover, we employ dropout to correct the over-fitting and also to quantify the uncertainty of DNNs in approximating the modal functions. We then design an active learning strategy based on the dropout uncertainty to place new sensors in the domain to improve the predictions of DNNs. Several numerical tests are conducted for both the forward and the inverse problems to quantify the effectiveness of PINNs combined with uncertainty quantification. This NN-aPC new paradigm of physics-informed deep learning with uncertainty quantification can be readily applied to other types of stochastic PDEs in multi-dimensions.