Statistical Learning
Multiple Kernel Learning from $U$-Statistics of Empirical Measures in the Feature Space
Khuzani, Masoud Badiei, Ren, Hongyi, Vasudevan, Varun, Xing, Lei
We propose a novel data-driven method to learn multiple kernels in kernel methods of statistical machine learning from training samples. The proposed kernel learning algorithm is based on a $U$-statistics of the empirical marginal distributions of features in the feature space given their class labels. We prove the consistency of the $U$-statistic estimate using the empirical distributions for kernel learning. In particular, we show that the empirical estimate of $U$-statistic converges to its population value with respect to all admissible distributions as the number of the training samples increase. We also prove the sample optimality of the estimate by establishing a minimax lower bound via Fano's method. In addition, we establish the generalization bounds of the proposed kernel learning approach by computing novel upper bounds on the Rademacher and Gaussian complexities using the concentration of measures for the quadratic matrix forms.We apply the proposed kernel learning approach to classification of the real-world data-sets using the kernel SVM and compare the results with $5$-fold cross-validation for the kernel model selection problem. We also apply the proposed kernel learning approach to devise novel architectures for the semantic segmentation of biomedical images. The proposed segmentation networks are suited for training on small data-sets and employ new mechanisms to generate representations from input images.
Clustering by the local intrinsic dimension: the hidden structure of real-world data
Allegra, Michele, Facco, Elena, Laio, Alessandro, Mira, Antonietta
It is well known that a small number of variables is often sufficient to effectively describe high-dimensional data. This number is called the intrinsic dimension (ID) of the data. What is not so commonly known is that the ID can vary within the same dataset. This fact has been highlighted in technical discussions, but seldom exploited to gain practical insight in the data structure. Here we develop a simple and robust approach to cluster regions with the same local ID in a given data landscape. Surprisingly, we find that many real-world data sets contain regions with widely heterogeneous dimensions. These regions host points differing in core properties: folded vs unfolded configurations in a protein molecular dynamics trajectory, active vs non-active regions in brain imaging data, and firms with different financial risk in company balance sheets. Our results show that a simple topological feature, the local ID, is sufficient to uncover a rich structure in high-dimensional data landscapes. Introduction From string theory to science fiction, the idea that we might be glued onto a lowdimensional surface embedded in a space of large dimensionality has tickled the speculations of scientists and writers alike. When it comes to multidimensional data, however, such situation is quite common rather than a wild speculation: data often concentrate on hypersurfaces of low intrinsic dimension (ID).
Local Bandwidth Estimation via Mixture of Gaussian Processes
Panknin, Danny, Nakajima, Shinichi, Bui, Thanh Binh, Müller, Klaus-Robert
Real world data often exhibit inhomogeneity - complexity of the target function, noise level, etc. are not uniform over the input space. We address the issue of estimating locally optimal kernel bandwidth as a way to describe inhomogeneity. Estimated kernel bandwidths can be used not only for improving the regression/classification performance, but also for Bayesian optimization and active learning, i.e., we need more samples in the region where the function complexity and the noise level are higher. Our method, called kernel mixture of kernel experts regression (KMKER) follows the concept of mixture of experts, which is constituted of several complementary inference models, the so called experts, where in advance a latent classifier, called the gate, predicts the best fitting expert for each test input to infer. For the experts we implement Gaussian process regression models at different (global) bandwidths and a multinomial kernel logistic regression model as the gate. The basic idea behind mixture of experts is, that several distinct ground truth functions over a joint input space drive the observations, which one may want to disentangle. Each expert is meant to model one of the incompatible functions such that each expert needs its individual set of hyperparameters. We differ from that idea in the sense that we assume only one ground truth function which however exhibits spacially inhomogeneous behavior. Under these assumptions we share the hyperparameters among the experts keeping their number constant. We compare KMKER to previous methods (which cope with inhomogeneity but do not provide the optimal bandwidth estimator) on artificial and benchmark data and analyze its performance and capability for interpretation on datasets from quantum chemistry. We also demonstrate how KMKER can be applied for automatic adaptive grid selection in fluid dynamics simulations.
Provable Guarantees for Gradient-Based Meta-Learning
Khodak, Mikhail, Balcan, Maria-Florina, Talwalkar, Ameet
We study the problem of meta-learning through the lens of online convex optimization, developing a meta-algorithm bridging the gap between popular gradient-based meta-learning and classical regularization-based multi-task transfer methods. Our method is the first to simultaneously satisfy good sample efficiency guarantees in the convex setting, with generalization bounds that improve with task-similarity, while also being computationally scalable to modern deep learning architectures and the many-task setting. Despite its simplicity, the algorithm matches, up to a constant factor, a lower bound on the performance of any such parameter-transfer method under natural task similarity assumptions. We use experiments in both convex and deep learning settings to verify and demonstrate the applicability of our theory.
High probability generalization bounds for uniformly stable algorithms with nearly optimal rate
Algorithmic stability is a classical approach to understanding and analysis of the generalization error of learning algorithms. A notable weakness of most stability-based generalization bounds is that they hold only in expectation. Generalization with high probability has been established in a landmark paper of Bousquet and Elisseeff (2002) albeit at the expense of an additional $\sqrt{n}$ factor in the bound. Specifically, their bound on the estimation error of any $\gamma$-uniformly stable learning algorithm on $n$ samples and range in $[0,1]$ is $O(\gamma \sqrt{n \log(1/\delta)} + \sqrt{\log(1/\delta)/n})$ with probability $\geq 1-\delta$. The $\sqrt{n}$ overhead makes the bound vacuous in the common settings where $\gamma \geq 1/\sqrt{n}$. A stronger bound was recently proved by the authors (Feldman and Vondrak, 2018) that reduces the overhead to at most $O(n^{1/4})$. Still, both of these results give optimal generalization bounds only when $\gamma = O(1/n)$. We prove a nearly tight bound of $O(\gamma \log(n)\log(n/\delta) + \sqrt{\log(1/\delta)/n})$ on the estimation error of any $\gamma$-uniformly stable algorithm. It implies that algorithms that are uniformly stable with $\gamma = O(1/\sqrt{n})$ have essentially the same estimation error as algorithms that output a fixed function. Our result leads to the first high-probability generalization bounds for multi-pass stochastic gradient descent and regularized ERM for stochastic convex problems with nearly optimal rate --- resolving open problems in prior work. Our proof technique is new and we introduce several analysis tools that might find additional applications.
Robust Decision Trees Against Adversarial Examples
Chen, Hongge, Zhang, Huan, Boning, Duane, Hsieh, Cho-Jui
Although adversarial examples and model robustness have been extensively studied in the context of linear models and neural networks, research on this issue in tree-based models and how to make tree-based models robust against adversarial examples is still limited. In this paper, we show that tree based models are also vulnerable to adversarial examples and develop a novel algorithm to learn robust trees. At its core, our method aims to optimize the performance under the worst-case perturbation of input features, which leads to a max-min saddle point problem. Incorporating this saddle point objective into the decision tree building procedure is non-trivial due to the discrete nature of trees --- a naive approach to finding the best split according to this saddle point objective will take exponential time. To make our approach practical and scalable, we propose efficient tree building algorithms by approximating the inner minimizer in this saddle point problem, and present efficient implementations for classical information gain based trees as well as state-of-the-art tree boosting models such as XGBoost. Experimental results on real world datasets demonstrate that the proposed algorithms can substantially improve the robustness of tree-based models against adversarial examples.
Learning Logistic Circuits
Liang, Yitao, Broeck, Guy Van den
This paper proposes a new classification model called logistic circuits. On MNIST and Fashion datasets, our learning algorithm outperforms neural networks that have an order of magnitude more parameters. Yet, logistic circuits have a distinct origin in symbolic AI, forming a discriminative counterpart to probabilistic-logical circuits such as ACs, SPNs, and PSDDs. We show that parameter learning for logistic circuits is convex optimization, and that a simple local search algorithm can induce strong model structures from data.
Cluster Analysis and Unsupervised Machine Learning in Python
Cluster analysis is a staple of unsupervised machine learning and data science. It is very useful for data mining and big data because it automatically finds patterns in the data, without the need for labels, unlike supervised machine learning. In a real-world environment, you can imagine that a robot or an artificial intelligence won't always have access to the optimal answer, or maybe there isn't an optimal correct answer. You'd want that robot to be able to explore the world on its own, and learn things just by looking for patterns. In this course we are first going to talk about clustering.
Seven Myths in Machine Learning Research · Oscar Chang
It is actually a Matrix manipulation library, and this difference is significant. NeurIPS 2018., the authors demonstrate that their automatic differentiation library based on actual Tensor Calculus has significantly more compact expression trees. This is because Tensor Calculus uses index notation, which results in treating both the forward mode and the reverse mode in the same manner. By contrast, Matrix Calculus hides the indices for notational convenience, and this often results in overly complicated automatic differentiation expression trees. Consider the matrix multiplication .
Machine Learning with PySpark - Programmer Books
Build machine learning models, natural language processing applications, and recommender systems with PySpark to solve various business challenges. This book starts with the fundamentals of Spark and its evolution and then covers the entire spectrum of traditional machine learning algorithms along with natural language processing and recommender systems using PySpark. Machine Learning with PySpark shows you how to build supervised machine learning models such as linear regression, logistic regression, decision trees, and random forest. You'll also see unsupervised machine learning models such as K-means and hierarchical clustering. A major portion of the book focuses on feature engineering to create useful features with PySpark to train the machine learning models.