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Scalable Bayesian Optimization Using Deep Neural Networks

arXiv.org Machine Learning

Bayesian optimization is an effective methodology for the global optimization of functions with expensive evaluations. It relies on querying a distribution over functions defined by a relatively cheap surrogate model. An accurate model for this distribution over functions is critical to the effectiveness of the approach, and is typically fit using Gaussian processes (GPs). However, since GPs scale cubically with the number of observations, it has been challenging to handle objectives whose optimization requires many evaluations, and as such, massively parallelizing the optimization. In this work, we explore the use of neural networks as an alternative to GPs to model distributions over functions. We show that performing adaptive basis function regression with a neural network as the parametric form performs competitively with state-of-the-art GP-based approaches, but scales linearly with the number of data rather than cubically. This allows us to achieve a previously intractable degree of parallelism, which we apply to large scale hyperparameter optimization, rapidly finding competitive models on benchmark object recognition tasks using convolutional networks, and image caption generation using neural language models.


Priors for Random Count Matrices Derived from a Family of Negative Binomial Processes

arXiv.org Machine Learning

We define a family of probability distributions for random count matrices with a potentially unbounded number of rows and columns. The three distributions we consider are derived from the gamma-Poisson, gamma-negative binomial, and beta-negative binomial processes. Because the models lead to closed-form Gibbs sampling update equations, they are natural candidates for nonparametric Bayesian priors over count matrices. A key aspect of our analysis is the recognition that, although the random count matrices within the family are defined by a row-wise construction, their columns can be shown to be i.i.d. This fact is used to derive explicit formulas for drawing all the columns at once. Moreover, by analyzing these matrices' combinatorial structure, we describe how to sequentially construct a column-i.i.d. random count matrix one row at a time, and derive the predictive distribution of a new row count vector with previously unseen features. We describe the similarities and differences between the three priors, and argue that the greater flexibility of the gamma- and beta- negative binomial processes, especially their ability to model over-dispersed, heavy-tailed count data, makes these well suited to a wide variety of real-world applications. As an example of our framework, we construct a naive-Bayes text classifier to categorize a count vector to one of several existing random count matrices of different categories. The classifier supports an unbounded number of features, and unlike most existing methods, it does not require a predefined finite vocabulary to be shared by all the categories, and needs neither feature selection nor parameter tuning. Both the gamma- and beta- negative binomial processes are shown to significantly outperform the gamma-Poisson process for document categorization, with comparable performance to other state-of-the-art supervised text classification algorithms.


Beyond Hartigan Consistency: Merge Distortion Metric for Hierarchical Clustering

arXiv.org Machine Learning

Hierarchical clustering is a popular method for analyzing data which associates a tree to a dataset. Hartigan consistency has been used extensively as a framework to analyze such clustering algorithms from a statistical point of view. Still, as we show in the paper, a tree which is Hartigan consistent with a given density can look very different than the correct limit tree. Specifically, Hartigan consistency permits two types of undesirable configurations which we term over-segmentation and improper nesting. Moreover, Hartigan consistency is a limit property and does not directly quantify difference between trees. In this paper we identify two limit properties, separation and minimality, which address both over-segmentation and improper nesting and together imply (but are not implied by) Hartigan consistency. We proceed to introduce a merge distortion metric between hierarchical clusterings and show that convergence in our distance implies both separation and minimality. We also prove that uniform separation and minimality imply convergence in the merge distortion metric. Furthermore, we show that our merge distortion metric is stable under perturbations of the density. Finally, we demonstrate applicability of these concepts by proving convergence results for two clustering algorithms. First, we show convergence (and hence separation and minimality) of the recent robust single linkage algorithm of Chaudhuri and Dasgupta (2010). Second, we provide convergence results on manifolds for topological split tree clustering.


Score-based Causal Learning in Additive Noise Models

arXiv.org Machine Learning

Given data sampled from a number of variables, one is often interested in the underlying causal relationships in the form of a directed acyclic graph. In the general case, without interventions on some of the variables it is only possible to identify the graph up to its Markov equivalence class. However, in some situations one can find the true causal graph just from observational data, for example in structural equation models with additive noise and nonlinear edge functions. Most current methods for achieving this rely on nonparametric independence tests. One of the problems there is that the null hypothesis is independence, which is what one would like to get evidence for. We take a different approach in our work by using a penalized likelihood as a score for model selection. This is practically feasible in many settings and has the advantage of yielding a natural ranking of the candidate models. When making smoothness assumptions on the probability density space, we prove consistency of the penalized maximum likelihood estimator. We also present empirical results for simulated scenarios and real two-dimensional data sets (cause-effect pairs) where we obtain similar results as other state-of-the-art methods.


The mRMR variable selection method: a comparative study for functional data

arXiv.org Machine Learning

The use of variable selection methods is particularly appealing in statistical problems with functional data. The obvious general criterion for variable selection is to choose the `most representative' or `most relevant' variables. However, it is also clear that a purely relevance-oriented criterion could lead to select many redundant variables. The mRMR (minimum Redundance Maximum Relevance) procedure, proposed by Ding and Peng (2005) and Peng et al. (2005) is an algorithm to systematically perform variable selection, achieving a reasonable trade-off between relevance and redundancy. In its original form, this procedure is based on the use of the so-called mutual information criterion to assess relevance and redundancy. Keeping the focus on functional data problems, we propose here a modified version of the mRMR method, obtained by replacing the mutual information by the new association measure (called distance correlation) suggested by Sz\'ekely et al. (2007). We have also performed an extensive simulation study, including 1600 functional experiments (100 functional models $\times$ 4 sample sizes $\times$ 4 classifiers) and three real-data examples aimed at comparing the different versions of the mRMR methodology. The results are quite conclusive in favor of the new proposed alternative.


Information Compression, Intelligence, Computing, and Mathematics

arXiv.org Artificial Intelligence

This paper presents evidence for the idea that much of artificial intelligence, human perception and cognition, mainstream computing, and mathematics, may be understood as compression of information via the matching and unification of patterns. This is the basis for the "SP theory of intelligence", outlined in the paper and fully described elsewhere. Relevant evidence may be seen: in empirical support for the SP theory; in some advantages of information compression (IC) in terms of biology and engineering; in our use of shorthands and ordinary words in language; in how we merge successive views of any one thing; in visual recognition; in binocular vision; in visual adaptation; in how we learn lexical and grammatical structures in language; and in perceptual constancies. IC via the matching and unification of patterns may be seen in both computing and mathematics: in IC via equations; in the matching and unification of names; in the reduction or removal of redundancy from unary numbers; in the workings of Post's Canonical System and the transition function in the Universal Turing Machine; in the way computers retrieve information from memory; in systems like Prolog; and in the query-by-example technique for information retrieval. The chunking-with-codes technique for IC may be seen in the use of named functions to avoid repetition of computer code. The schema-plus-correction technique may be seen in functions with parameters and in the use of classes in object-oriented programming. And the run-length coding technique may be seen in multiplication, in division, and in several other devices in mathematics and computing. The SP theory resolves the apparent paradox of "decompression by compression". And computing and cognition as IC is compatible with the uses of redundancy in such things as backup copies to safeguard data and understanding speech in a noisy environment.


Tensor principal component analysis via sum-of-squares proofs

arXiv.org Machine Learning

We study a statistical model for the tensor principal component analysis problem introduced by Montanari and Richard: Given a order-$3$ tensor $T$ of the form $T = \tau \cdot v_0^{\otimes 3} + A$, where $\tau \geq 0$ is a signal-to-noise ratio, $v_0$ is a unit vector, and $A$ is a random noise tensor, the goal is to recover the planted vector $v_0$. For the case that $A$ has iid standard Gaussian entries, we give an efficient algorithm to recover $v_0$ whenever $\tau \geq \omega(n^{3/4} \log(n)^{1/4})$, and certify that the recovered vector is close to a maximum likelihood estimator, all with high probability over the random choice of $A$. The previous best algorithms with provable guarantees required $\tau \geq \Omega(n)$. In the regime $\tau \leq o(n)$, natural tensor-unfolding-based spectral relaxations for the underlying optimization problem break down (in the sense that their integrality gap is large). To go beyond this barrier, we use convex relaxations based on the sum-of-squares method. Our recovery algorithm proceeds by rounding a degree-$4$ sum-of-squares relaxations of the maximum-likelihood-estimation problem for the statistical model. To complement our algorithmic results, we show that degree-$4$ sum-of-squares relaxations break down for $\tau \leq O(n^{3/4}/\log(n)^{1/4})$, which demonstrates that improving our current guarantees (by more than logarithmic factors) would require new techniques or might even be intractable. Finally, we show how to exploit additional problem structure in order to solve our sum-of-squares relaxations, up to some approximation, very efficiently. Our fastest algorithm runs in nearly-linear time using shifted (matrix) power iteration and has similar guarantees as above. The analysis of this algorithm also confirms a variant of a conjecture of Montanari and Richard about singular vectors of tensor unfoldings.


Scalable Bayesian Inference for Excitatory Point Process Networks

arXiv.org Machine Learning

Networks capture our intuition about relationships in the world. They describe the friendships between Facebook users, interactions in financial markets, and synapses connecting neurons in the brain. These networks are richly structured with cliques of friends, sectors of stocks, and a smorgasbord of cell types that govern how neurons connect. Some networks, like social network friendships, can be directly observed, but in many cases we only have an indirect view of the network through the actions of its constituents and an understanding of how the network mediates that activity. In this work, we focus on the problem of latent network discovery in the case where the observable activity takes the form of a mutually-excitatory point process known as a Hawkes process. We build on previous work that has taken a Bayesian approach to this problem, specifying prior distributions over the latent network structure and a likelihood of observed activity given this network. We extend this work by proposing a discrete-time formulation and developing a computationally efficient stochastic variational inference (SVI) algorithm that allows us to scale the approach to long sequences of observations. We demonstrate our algorithm on the calcium imaging data used in the Chalearn neural connectomics challenge.


Scatter Matrix Concordance: A Diagnostic for Regressions on Subsets of Data

arXiv.org Machine Learning

Linear regression models depend directly on the design matrix and its properties. Techniques that efficiently estimate model coefficients by partitioning rows of the design matrix are increasingly popular for large-scale problems because they fit well with modern parallel computing architectures. We propose a simple measure of {\em concordance} between a design matrix and a subset of its rows that estimates how well a subset captures the variance-covariance structure of a larger data set. We illustrate the use of this measure in a heuristic method for selecting row partition sizes that balance statistical and computational efficiency goals in real-world problems.


Homotopy Continuation Approaches for Robust SV Classification and Regression

arXiv.org Machine Learning

In support vector machine (SVM) applications with unreliable data that contains a portion of outliers, non-robustness of SVMs often causes considerable performance deterioration. Although many approaches for improving the robustness of SVMs have been studied, two major challenges remain in robust SVM learning. First, robust learning algorithms are essentially formulated as non-convex optimization problems. It is thus important to develop a non-convex optimization method for robust SVM that can find a good local optimal solution. The second practical issue is how one can tune the hyperparameter that controls the balance between robustness and efficiency. Unfortunately, due to the non-convexity, robust SVM solutions with slightly different hyper-parameter values can be significantly different, which makes model selection highly unstable. In this paper, we address these two issues simultaneously by introducing a novel homotopy approach to non-convex robust SVM learning. Our basic idea is to introduce parametrized formulations of robust SVM which bridge the standard SVM and fully robust SVM via the parameter that represents the influence of outliers. We characterize the necessary and sufficient conditions of the local optimal solutions of robust SVM, and develop an algorithm that can trace a path of local optimal solutions when the influence of outliers is gradually decreased. An advantage of our homotopy approach is that it can be interpreted as simulated annealing, a common approach for finding a good local optimal solution in non-convex optimization problems. In addition, our homotopy method allows stable and efficient model selection based on the path of local optimal solutions. Empirical performances of the proposed approach are demonstrated through intensive numerical experiments both on robust classification and regression problems.