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 Optimization


Large-scale randomized-coordinate descent methods with non-separable linear constraints

arXiv.org Machine Learning

We develop randomized (block) coordinate descent (CD) methods for linearly constrained convex optimization. Unlike most CD methods, we do not assume the constraints to be separable, but let them be coupled linearly. To our knowledge, ours is the first CD method that allows linear coupling constraints, without making the global iteration complexity have an exponential dependence on the number of constraints. We present algorithms and analysis for four key problem scenarios: (i) smooth; (ii) smooth + nonsmooth separable; (iii) asynchronous parallel; and (iv) stochastic. We illustrate empirical behavior of our algorithms by simulation experiments.


Clustering by transitive propagation

arXiv.org Machine Learning

We present a global optimization algorithm for clustering data given the ratio of likelihoods that each pair of data points is in the same cluster or in different clusters. To define a clustering solution in terms of pairwise relationships, a necessary and sufficient condition is that belonging to the same cluster satisfies transitivity. We define a global objective function based on pairwise likelihood ratios and a transitivity constraint over all triples, assigning an equal prior probability to all clustering solutions. We maximize the objective function by implementing max-sum message passing on the corresponding factor graph to arrive at an O(N^3) algorithm. Lastly, we demonstrate an application inspired by mutational sequencing for decoding random binary words transmitted through a noisy channel.


Policy Gradient for Coherent Risk Measures

arXiv.org Machine Learning

Several authors have recently developed risk-sensitive policy gradient methods that augment the standard expected cost minimization problem with a measure of variability in cost. These studies have focused on specific risk-measures, such as the variance or conditional value at risk (CVaR). In this work, we extend the policy gradient method to the whole class of coherent risk measures, which is widely accepted in finance and operations research, among other fields. We consider both static and time-consistent dynamic risk measures. For static risk measures, our approach is in the spirit of policy gradient algorithms and combines a standard sampling approach with convex programming. For dynamic risk measures, our approach is actor-critic style and involves explicit approximation of value function. Most importantly, our contribution presents a unified approach to risk-sensitive reinforcement learning that generalizes and extends previous results.


LOCO: Distributing Ridge Regression with Random Projections

arXiv.org Machine Learning

We propose LOCO, an algorithm for large-scale ridge regression which distributes the features across workers on a cluster. Important dependencies between variables are preserved using structured random projections which are cheap to compute and must only be communicated once. We show that LOCO obtains a solution which is close to the exact ridge regression solution in the fixed design setting. We verify this experimentally in a simulation study as well as an application to climate prediction. Furthermore, we show that LOCO achieves significant speedups compared with a state-of-the-art distributed algorithm on a large-scale regression problem.


Gaussian Process Optimization with Mutual Information

arXiv.org Machine Learning

In this paper, we analyze a generic algorithm scheme for sequential global optimization using Gaussian processes. The upper bounds we derive on the cumulative regret for this generic algorithm improve by an exponential factor the previously known bounds for algorithms like GP-UCB. We also introduce the novel Gaussian Process Mutual Information algorithm (GP-MI), which significantly improves further these upper bounds for the cumulative regret. We confirm the efficiency of this algorithm on synthetic and real tasks against the natural competitor, GP-UCB, and also the Expected Improvement heuristic.


Linear Convergence of the Randomized Feasible Descent Method Under the Weak Strong Convexity Assumption

arXiv.org Machine Learning

In this paper we generalize the framework of the feasible descent method (FDM) to a randomized (R-FDM) and a coordinate-wise random feasible descent method (RC-FDM) framework. We show that the famous SDCA algorithm for optimizing the SVM dual problem, or the stochastic coordinate descent method for the LASSO problem, fits into the framework of RC-FDM. We prove linear convergence for both R-FDM and RC-FDM under the weak strong convexity assumption. Moreover, we show that the duality gap converges linearly for RC-FDM, which implies that the duality gap also converges linearly for SDCA applied to the SVM dual problem.


Local Nonstationarity for Efficient Bayesian Optimization

arXiv.org Machine Learning

Bayesian optimization has shown to be a fundamental global optimization algorithm in many applications: ranging from automatic machine learning, robotics, reinforcement learning, experimental design, simulations, etc. The most popular and effective Bayesian optimization relies on a surrogate model in the form of a Gaussian process due to its flexibility to represent a prior over function. However, many algorithms and setups relies on the stationarity assumption of the Gaussian process. In this paper, we present a novel nonstationary strategy for Bayesian optimization that is able to outperform the state of the art in Bayesian optimization both in stationary and nonstationary problems.


PeakSegJoint: fast supervised peak detection via joint segmentation of multiple count data samples

arXiv.org Machine Learning

Joint peak detection is a central problem when comparing samples in genomic data analysis, but current algorithms for this task are unsupervised and limited to at most 2 sample types. We propose PeakSegJoint, a new constrained maximum likelihood segmentation model for any number of sample types. To select the number of peaks in the segmentation, we propose a supervised penalty learning model. To infer the parameters of these two models, we propose to use a discrete optimization heuristic for the segmentation, and convex optimization for the penalty learning. In comparisons with state-of-the-art peak detection algorithms, PeakSegJoint achieves similar accuracy, faster speeds, and a more interpretable model with overlapping peaks that occur in exactly the same positions across all samples.


Bayesian optimization for materials design

arXiv.org Machine Learning

We introduce Bayesian optimization, a technique developed for optimizing time-consuming engineering simulations and for fitting machine learning models on large datasets. Bayesian optimization guides the choice of experiments during materials design and discovery to find good material designs in as few experiments as possible. We focus on the case when materials designs are parameterized by a low-dimensional vector. Bayesian optimization is built on a statistical technique called Gaussian process regression, which allows predicting the performance of a new design based on previously tested designs. After providing a detailed introduction to Gaussian process regression, we introduce two Bayesian optimization methods: expected improvement, for design problems with noise-free evaluations; and the knowledge-gradient method, which generalizes expected improvement and may be used in design problems with noisy evaluations. Both methods are derived using a value-of-information analysis, and enjoy one-step Bayes-optimality.


Optimizing Non-decomposable Performance Measures: A Tale of Two Classes

arXiv.org Machine Learning

Modern classification problems frequently present mild to severe label imbalance as well as specific requirements on classification characteristics, and require optimizing performance measures that are non-decomposable over the dataset, such as F-measure. Such measures have spurred much interest and pose specific challenges to learning algorithms since their non-additive nature precludes a direct application of well-studied large scale optimization methods such as stochastic gradient descent. In this paper we reveal that for two large families of performance measures that can be expressed as functions of true positive/negative rates, it is indeed possible to implement point stochastic updates. The families we consider are concave and pseudo-linear functions of TPR, TNR which cover several popularly used performance measures such as F-measure, G-mean and H-mean. Our core contribution is an adaptive linearization scheme for these families, using which we develop optimization techniques that enable truly point-based stochastic updates. For concave performance measures we propose SPADE, a stochastic primal dual solver; for pseudo-linear measures we propose STAMP, a stochastic alternate maximization procedure. Both methods have crisp convergence guarantees, demonstrate significant speedups over existing methods - often by an order of magnitude or more, and give similar or more accurate predictions on test data.