Bayesian Inference
A Support Detection and Root Finding Approach for Learning High-dimensional Generalized Linear Models
Huang, Jian, Jiao, Yuling, Kang, Lican, Liu, Jin, Liu, Yanyan, Lu, Xiliang
Feature selection is important for modeling high-dimensional data, where the number of variables can be much larger than the sample size. In this paper, we develop a support detection and root finding procedure to learn the high dimensional sparse generalized linear models and denote this method by GSDAR. Based on the KKT condition for $\ell_0$-penalized maximum likelihood estimations, GSDAR generates a sequence of estimators iteratively. Under some restricted invertibility conditions on the maximum likelihood function and sparsity assumption on the target coefficients, the errors of the proposed estimate decays exponentially to the optimal order. Moreover, the oracle estimator can be recovered if the target signal is stronger than the detectable level. We conduct simulations and real data analysis to illustrate the advantages of our proposed method over several existing methods, including Lasso and MCP.
Better Boosting with Bandits for Online Learning
Nikolaou, Nikolaos, Mellor, Joseph, Oza, Nikunj C., Brown, Gavin
The examples are considered to be of the form ( x i,y i), where x i is the feature vector of the i-th example and y i { 1, 1} is its class label. Extension to the multiclass case is often handled by breaking down the problem into multiple binary ones, so our analysis and its main results can carry over to the multiclass case. We consider the online setting where examples are presented to the learner in M minibatches 2 of size b. On the n -th iteration the learner performs the following steps: 1. Receive new examples x i, x i minibatch n 2. Predict the label ˆ y i and/or the probability estimate ˆ p(y i 1 x i), i minibatch n 3. Get true labels y i f ( x i), x i minibatch n, where f is the labelling function 4. Update learner parameters accordingly The steps above are intentionally left general enough to describe all learning components encountered in the paper. Our goal is to study the quality of the probability estimates generated by online boosting ensembles and strategies for improving it. Online boosting ensembles consist of multiple base learners, themselves also trained in an online fashion and -as we will seethe techniques used for improving the probability estimates (both the calibrator and the reward models of the bandits) are also learners trained in an online fashion. All follow the same general approach defined above: they maintain a model with a fixed number of parameters (i.e.
Fairness Measures for Regression via Probabilistic Classification
Steinberg, Daniel, Reid, Alistair, O'Callaghan, Simon
Algorithmic fairness involves expressing notions such as equity, or reasonable treatment, as quantifiable measures that a machine learning algorithm can optimise. Most work in the literature to date has focused on classification problems where the prediction is categorical, such as accepting or rejecting a loan application. This is in part because classification fairness measures are easily computed by comparing the rates of outcomes, leading to behaviours such as ensuring that the same fraction of eligible men are selected as eligible women. But such measures are computationally difficult to generalise to the continuous regression setting for problems such as pricing, or allocating payments. The difficulty arises from estimating conditional densities (such as the probability density that a system will over-charge by a certain amount). For the regression setting we introduce tractable approximations of the independence, separation and sufficiency criteria by observing that they factorise as ratios of different conditional probabilities of the protected attributes. We introduce and train machine learning classifiers, distinct from the predictor, as a mechanism to estimate these probabilities from the data. This naturally leads to model agnostic, tractable approximations of the criteria, which we explore experimentally.
Quantified limits of the nuclear landscape
Neufcourt, Léo, Cao, Yuchen, Giuliani, Samuel A., Nazarewicz, Witold, Olsen, Erik, Tarasov, Oleg B.
The chart of the nuclides is limited by particle drip lines beyond which nuclear stability to proton or neutron emission is lost. Predicting the range of particle-bound isotopes poses an appreciable challenge for nuclear theory as it involves extreme extrapolations of nuclear masses beyond the regions where experimental information is available. Still, quantified extrapolations are crucial for a variety of applications, including the modeling of stellar nucleosynthesis. We use microscopic nuclear mass models and Bayesian methodology to provide quantified predictions of proton and neutron separation energies as well as Bayesian probabilities of existence throughout the nuclear landscape all the way to the particle drip lines. We apply nuclear density functional theory with several energy density functionals. To account for uncertainties, Bayesian Gaussian processes are trained on the separation-energy residuals for each individual model, and the resulting predictions are combined via Bayesian model averaging. This framework allows to account for systematic and statistical uncertainties and propagate them to extrapolative predictions. We characterize the drip-line regions where the probability that the nucleus is particle-bound decreases from $1$ to $0$. In these regions, we provide quantified predictions for one- and two-nucleon separation energies. According to our Bayesian model averaging analysis, 7759 nuclei with $Z\leq 119$ have a probability of existence $\geq 0.5$. The extrapolations obtained in this study will be put through stringent tests when new experimental information on exotic nuclei becomes available. In this respect, the quantified landscape of nuclear existence obtained in this study should be viewed as a dynamical prediction that will be fine-tuned when new experimental information and improved global mass models become available.
Masking schemes for universal marginalisers
Gautam, Divya, Lomeli, Maria, Gourgoulias, Kostis, Thompson, Daniel H., Johri, Saurabh
We consider the effect of structure-agnostic and structure-dependent masking schemes when training a universal marginaliser (arXiv:1711.00695) in order to learn conditional distributions of the form $P(x_i |\mathbf x_{\mathbf b})$, where $x_i$ is a given random variable and $\mathbf x_{\mathbf b}$ is some arbitrary subset of all random variables of the generative model of interest. In other words, we mimic the self-supervised training of a denoising autoencoder, where a dataset of unlabelled data is used as partially observed input and the neural approximator is optimised to minimise reconstruction loss. We focus on studying the underlying process of the partially observed data---how good is the neural approximator at learning all conditional distributions when the observation process at prediction time differs from the masking process during training? We compare networks trained with different masking schemes in terms of their predictive performance and generalisation properties.
Newtonian Monte Carlo: single-site MCMC meets second-order gradient methods
Arora, Nimar S., Tehrani, Nazanin Khosravani, Shah, Kinjal Divesh, Tingley, Michael, Li, Yucen Lily, Torabi, Narjes, Noursi, David, Masouleh, Sepehr Akhavan, Lippert, Eric, Meijer, Erik
Single-site Markov Chain Monte Carlo (MCMC) is a variant of MCMC in which a single coordinate in the state space is modified in each step. Structured relational models are a good candidate for this style of inference. In the single-site context, second order methods become feasible because the typical cubic costs associated with these methods is now restricted to the dimension of each coordinate. Our work, which we call Newtonian Monte Carlo (NMC), is a method to improve MCMC convergence by analyzing the first and second order gradients of the target density to determine a suitable proposal density at each point. Existing first order gradient-based methods suffer from the problem of determining an appropriate step size. Too small a step size and it will take a large number of steps to converge, while a very large step size will cause it to overshoot the high density region. NMC is similar to the Newton-Raphson update in optimization where the second order gradient is used to automatically scale the step size in each dimension. However, our objective is to find a parameterized proposal density rather than the maxima. As a further improvement on existing first and second order methods, we show that random variables with constrained supports don't need to be transformed before taking a gradient step. We demonstrate the efficiency of NMC on a number of different domains. For statistical models where the prior is conjugate to the likelihood, our method recovers the posterior quite trivially in one step. However, we also show results on fairly large non-conjugate models, where NMC performs better than adaptive first order methods such as NUTS or other inexact scalable inference methods such as Stochastic Variational Inference or bootstrapping.
Automated extraction of mutual independence patterns using Bayesian comparison of partition models
Marrelec, Guillaume, Giron, Alain
Mutual independence is a key concept in statistics that characterizes the structural relationships between variables. Existing methods to investigate mutual independence rely on the definition of two competing models, one being nested into the other and used to generate a null distribution for a statistic of interest, usually under the asymptotic assumption of large sample size. As such, these methods have a very restricted scope of application. In the present manuscript, we propose to change the investigation of mutual independence from a hypothesis-driven task that can only be applied in very specific cases to a blind and automated search within patterns of mutual independence. To this end, we treat the issue as one of model comparison that we solve in a Bayesian framework. We show the relationship between such an approach and existing methods in the case of multivariate normal distributions as well as cross-classified multinomial distributions. We propose a general Markov chain Monte Carlo (MCMC) algorithm to numerically approximate the posterior distribution on the space of all patterns of mutual independence. The relevance of the method is demonstrated on synthetic data as well as two real datasets, showing the unique insight provided by this approach.
Mathematics Behind AI & Machine Learning
Let's face reality, mathematics is far from being enjoyable. To learn it, we often lack time, and most importantly, motivation. Why do we need all these symbols and a bunch of figures? It turns out, a lot of sense. Especially if you have something to do with machine learning. The point here is not to acquire knowledge, but to be able to use it.
Sparse Covariance Estimation in Logit Mixture Models
Aboutaleb, Youssef M, Danaf, Mazen, Xie, Yifei, Ben-Akiva, Moshe
This paper introduces a new data-driven methodology for estimating sparse covariance matrices of the random coefficients in logit mixture models. Researchers typically specify covariance matrices in logit mixture models under one of two extreme assumptions: either an unrestricted full covariance matrix (allowing correlations between all random coefficients), or a restricted diagonal matrix (allowing no correlations at all). Our objective is to find optimal subsets of correlated coefficients for which we estimate covariances. We propose a new estimator, called MISC, that uses a mixed-integer optimization (MIO) program to find an optimal block diagonal structure specification for the covariance matrix, corresponding to subsets of correlated coefficients, for any desired sparsity level using Markov Chain Monte Carlo (MCMC) posterior draws from the unrestricted full covariance matrix. The optimal sparsity level of the covariance matrix is determined using out-of-sample validation. We demonstrate the ability of MISC to correctly recover the true covariance structure from synthetic data. In an empirical illustration using a stated preference survey on modes of transportation, we use MISC to obtain a sparse covariance matrix indicating how preferences for attributes are related to one another.
Analysis of Bayesian Inference Algorithms by the Dynamical Functional Approach
We analyze the dynamics of an algorithm for approximate inference with large Gaussian latent variable models in a student-teacher scenario. To model nontrivial dependencies between the latent variables, we assume random covariance matrices drawn from rotation invariant ensembles. For the case of perfect data-model matching, the knowledge of static order parameters derived from the replica method allows us to obtain efficient algorithmic updates in terms of matrix-vector multiplications with a fixed matrix. Using the dynamical functional approach, we obtain an exact effective stochastic process in the thermodynamic limit for a single node. From this, we obtain closed-form expressions for the rate of the convergence. Analytical results are excellent agreement with simulations of single instances of large models.