Tree boosting is a highly effective and widely used machine learning method. In this paper, we describe a scalable end-to-end tree boosting system called XGBoost, which is used widely by data scientists to achieve state-of-the-art results on many machine learning challenges. We propose a novel sparsity-aware algorithm for sparse data and weighted quantile sketch for approximate tree learning. More importantly, we provide insights on cache access patterns, data compression and sharding to build a scalable tree boosting system. By combining these insights, XGBoost scales beyond billions of examples using far fewer resources than existing systems.

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XGBoost: A Scalable Tree Boosting System

The game of Go has long been viewed as the most challenging of classic games for artificial intelligence owing to its enormous search space and the difficulty of evaluating board positions and moves. Here we introduce a new approach to computer Go that uses ‘value networks’ to evaluate board positions and ‘policy networks’ to select moves. These deep neural networks are trained by a novel combination of supervised learning from human expert games, and reinforcement learning from games of self-play. Without any lookahead search, the neural networks play Go at the level of stateof-the-art Monte Carlo tree search programs that simulate thousands of random games of self-play. We also introduce a new search algorithm that combines Monte Carlo simulation with value and policy networks. Using this search algorithm, our program AlphaGo achieved a 99.8% winning rate against other Go programs, and defeated the human European Go champion by 5 games to 0. This is the first time that a computer program has defeated a human professional player in the full-sized game of Go, a feat previously thought to be at least a decade away.

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Mastering the game of Go with deep neural networks and tree search

Machine Learning is the study of methods for programming computers to learn. Computers are applied to a wide range of tasks, and for most of these it is relatively easy for programmers to design and implement the necessary software. However, there are many tasks for which this is difficult or impossible. These can be divided into four general categories. First, there are problems for which there exist no human experts. For example, in modern automated manufacturing facilities, there is a need to predict machine failures before they occur by analyzing sensor readings. Because the machines are new, there are no human experts who can be interviewed by a programmer to provide the knowledge necessary to build a computer system. A machine learning system can study recorded data and subsequent machine failures and learn prediction rules. Second, there are problems where human experts exist, but where they are unable to explain their expertise. This is the case in many perceptual tasks, such as speech recognition, hand-writing recognition, and natural language understanding. Virtually all humans exhibit expert-level abilities on these tasks, but none of them can describe the detailed steps that they follow as they perform them. Fortunately, humans can provide machines with examples of the inputs and correct outputs for these tasks, so machine learning algorithms can learn to map the inputs to the outputs. Third, there are problems where phenomena are changing rapidly. In finance, for example, people would like to predict the future behavior of the stock market, of consumer purchases, or of exchange rates. These behaviors change frequently, so that even if a programmer could construct a good predictive computer program, it would need to be rewritten frequently. A learning program can relieve the programmer of this burden by constantly modifying and tuning a set of learned prediction rules. Fourth, there are applications that need to be customized for each computer user separately. Consider, for example, a program to filter unwanted electronic mail messages. Different users will need different filters. It is unreasonable to expect each user to program his or her own rules, and it is infeasible to provide every user with a software engineer to keep the rules up-to-date. A machine learning system can learn which mail messages the user rejects and maintain the filtering rules automatically. Machine learning addresses many of the same research questions as the fields of statistics, data mining, and psychology, but with differences of emphasis. Statistics focuses on understanding the phenomena that have generated the data, often with the goal of testing different hypotheses about those phenomena. Data mining seeks to find patterns in the data that are understandable by people. Psychological studies of human learning aspire to understand the mechanisms underlying the various learning behaviors exhibited by people (concept learning, skill acquisition, strategy change, etc.).

Machine learning

A comprehensive and self-contained introduction to Gaussian processes, which provide a principled, practical, probabilistic approach to learning in kernel machines. Gaussian processes (GPs) provide a principled, practical, probabilistic approach to learning in kernel machines. GPs have received increased attention in the machine-learning community over the past decade, and this book provides a long-needed systematic and unified treatment of theoretical and practical aspects of GPs in machine learning. The treatment is comprehensive and self-contained, targeted at researchers and students in machine learning and applied statistics. The book deals with the supervised-learning problem for both regression and classification, and includes detailed algorithms. A wide variety of covariance (kernel) functions are presented and their properties discussed. Model selection is discussed both from a Bayesian and a classical perspective. Many connections to other well-known techniques from machine learning and statistics are discussed, including support-vector machines, neural networks, splines, regularization networks, relevance vector machines and others. Theoretical issues including learning curves and the PAC-Bayesian framework are treated, and several approximation methods for learning with large datasets are discussed. The book contains illustrative examples and exercises, and code and datasets are available on the Web. Appendixes provide mathematical background and a discussion of Gaussian Markov processes.

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Gaussian Processes for Machine Learning

In this tutorial we give an overview of the basic ideas underlying Support Vector (SV) machines for function estimation. Furthermore, we include a summary of currently used algorithms for training SV machines, covering both the quadratic (or convex) programming part and advanced methods for dealing with large datasets. Finally, we mention some modifications and extensions that have been applied to the standard SV algorithm, and discuss the aspect of regularization from a SV perspective.

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A tutorial on support vector regression

Wahba's classical representer theorem states that the solutions of certain risk minimization problems involving an empirical risk term and a quadratic regularizer can be written as expansions in terms of the training examples. We generalize the theorem to a larger class of regularizers and empirical risk terms, and give a self-contained proof utilizing the feature space associated with a kernel. The result shows that a wide range of problems have optimal solutions that live in the finite dimensional span of the training examples mapped into feature space, thus enabling us to carry out kernel algorithms independent of the (potentially infinite) dimensionality of the feature space.

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A Generalized Representer Theorem

Large margin rank boundaries for ordinal regression

Online advertising allows advertisers to only bid and pay for measurable user responses, such as clicks on ads. As a consequence, click prediction systems are central to most online advertising systems. With over 750 million daily active users and over 1 million active advertisers, predicting clicks on Facebook ads is a challenging machine learning task. In this paper we introduce a model which combines decision trees with logistic regression, outperforming either of these methods on its own by over 3%, an improvement with significant impact to the overall system performance. We then explore how a number of fundamental parameters impact the final prediction performance of our system. Not surprisingly, the most important thing is to have the right features: those capturing historical information about the user or ad dominate other types of features. Once we have the right features and the right model (decisions trees plus logistic regression), other factors play small roles (though even small improvements are important at scale). Picking the optimal handling for data freshness, learning rate schema and data sampling improve the model slightly, though much less than adding a high-value feature, or picking the right model to begin with.

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Practical Lessons from Predicting Clicks on Ads at Facebook

We present a new Bayesian skill rating system which can be viewed as a generalisation of the Elo system used in Chess. The new system tracks the uncertainty about player skills, explicitly models draws, can deal with any number of competing entities and can infer individual skills from team results. Inference is performed by approximate message passing on a factor graph representation of the model. We present experimental evidence on the increased accuracy and convergence speed of the system compared to Elo and report on our experience with the new rating system running in a large-scale commercial online gaming service under the name of TrueSkill.

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TrueSkill™: A Bayesian Skill Rating System

We present a framework for sparse Gaussian process (GP) methods which uses forward selection with criteria based on information-theoretic principles, previously suggested for active learning. Our goal is not only to learn d-sparse predictors (which can be evaluated in O(d) rather than O(n), d ≪ n, n the number of training points), but also to perform training under strong restrictions on time and memory requirements. The scaling of our method is at most O(n · d2), and in large real-world classification experiments we show that it can match prediction performance of the popular support vector machine (SVM), yet can be significantly faster in training. In contrast to the SVM, our approximation produces estimates of predictive probabilities ('error bars'), allows for Bayesian model selection and is less complex in implementation.

/pdf/fast-sparse-gaussian-process-methods-the-informative-vector-3qjcx4o9oi.pdf

Ralf Herbrich

Papers

A Generalized Representer Theorem

Large margin rank boundaries for ordinal regression

Practical Lessons from Predicting Clicks on Ads at Facebook

TrueSkill™: A Bayesian Skill Rating System

Fast Sparse Gaussian Process Methods: The Informative Vector Machine