We present novel graph kernels for graphs with node and edge labels that have ordered neighborhoods, i.e. when neighbor nodes follow an order. Graphs with ordered neighborhoods are a natural data representation for evolving graphs where edges are created over time, which induces an order. Combining convolutional subgraph kernels and string kernels, we design new scalable algorithms for generation of explicit graph feature maps using sketching techniques. We obtain precise bounds for the approximation accuracy and computational complexity of the proposed approaches and demonstrate their applicability on real datasets. In particular, our experiments demonstrate that neighborhood ordering results in more informative features. For the special case of general graphs, i.e. graphs without ordered neighborhoods, the new graph kernels yield efficient and simple algorithms for the comparison of label distributions between graphs.

We provide convergence rates for Krylov subspace solutions to the trust-region and cubic-regularized (nonconvex) quadratic problems. Such solutions may be efficiently computed by the Lanczos method and have long been used in practice. We prove error bounds of the form $1/t^2$ and $e^{-4t/\sqrt{\kappa}}$, where $\kappa$ is a condition number for the problem, and $t$ is the Krylov subspace order (number of Lanczos iterations). We also provide lower bounds showing that our analysis is sharp.

We introduce the community exploration problem that has various real-world applications such as online advertising. In the problem, an explorer allocates limited budget to explore communities so as to maximize the number of members he could meet. We provide a systematic study of the community exploration problem, from offline optimization to online learning. For the offline setting where the sizes of communities are known, we prove that the greedy methods for both of non-adaptive exploration and adaptive exploration are optimal. For the online setting where the sizes of communities are not known and need to be learned from the multi-round explorations, we propose an ``upper confidence'' like algorithm that achieves the logarithmic regret bounds. By combining the feedback from different rounds, we can achieve a constant regret bound.

Based on non-local prior distributions, we propose a Bayesian model selection (BMS) procedure for boundary detection in a sequence of data with multiple systematic mean changes. The BMS method can effectively suppress the non-boundary spike points with large instantaneous changes. We speed up the algorithm by reducing the multiple change points to a series of single change point detection problems. We establish the consistency of the estimated number and locations of the change points under various prior distributions. Extensive simulation studies are conducted to compare the BMS with existing methods, and our approach is illustrated with application to the magnetic resonance imaging guided radiation therapy data.

The determinantal point process (DPP) is an elegant probabilistic model of repulsion with applications in various machine learning tasks including summarization and search. However, the maximum a posteriori (MAP) inference for DPP which plays an important role in many applications is NP-hard, and even the popular greedy algorithm can still be too computationally expensive to be used in large-scale real-time scenarios. To overcome the computational challenge, in this paper, we propose a novel algorithm to greatly accelerate the greedy MAP inference for DPP. In addition, our algorithm also adapts to scenarios where the repulsion is only required among nearby few items in the result sequence. We apply the proposed algorithm to generate relevant and diverse recommendations. Experimental results show that our proposed algorithm is significantly faster than state-of-the-art competitors, and provides a better relevance-diversity trade-off on several public datasets, which is also confirmed in an online A/B test.

We introduce two novel tree search algorithms that use a policy to guide search. The first algorithm is a best-first enumeration that uses a cost function that allows us to provide an upper bound on the number of nodes to be expanded before reaching a goal state. We show that this best-first algorithm is particularly well suited for ``needle-in-a-haystack'' problems. The second algorithm, which is based on sampling, provides an upper bound on the expected number of nodes to be expanded before reaching a set of goal states. We show that this algorithm is better suited for problems where many paths lead to a goal. We validate these tree search algorithms on 1,000 computer-generated levels of Sokoban, where the policy used to guide search comes from a neural network trained using A3C. Our results show that the policy tree search algorithms we introduce are competitive with a state-of-the-art domain-independent planner that uses heuristic search.

Deep neural networks, trained with large amount of labeled data, can fail to generalize well when tested with examples from a target domain whose distribution differs from the training data distribution, referred as the source domain. It can be expensive or even infeasible to obtain required amount of labeled data in all possible domains. Unsupervised domain adaptation sets out to address this problem, aiming to learn a good predictive model for the target domain using labeled examples from the source domain but only unlabeled examples from the target domain. Domain alignment approaches this problem by matching the source and target feature distributions, and has been used as a key component in many state-of-the-art domain adaptation methods. However, matching the marginal feature distributions does not guarantee that the corresponding class conditional distributions will be aligned across the two domains. We propose co-regularized domain alignment for unsupervised domain adaptation, which constructs multiple diverse feature spaces and aligns source and target distributions in each of them individually, while encouraging that alignments agree with each other with regard to the class predictions on the unlabeled target examples. The proposed method is generic and can be used to improve any domain adaptation method which uses domain alignment. We instantiate it in the context of a recent state-of-the-art method and observe that it provides significant performance improvements on several domain adaptation benchmarks.

Many modern machine learning models are trained to achieve zero or near-zero training error in order to obtain near-optimal (but non-zero) test error. This phenomenon of strong generalization performance for ``overfitted'' / interpolated classifiers appears to be ubiquitous in high-dimensional data, having been observed in deep networks, kernel machines, boosting and random forests. Their performance is consistently robust even when the data contain large amounts of label noise. Very little theory is available to explain these observations. The vast majority of theoretical analyses of generalization allows for interpolation only when there is little or no label noise. This paper takes a step toward a theoretical foundation for interpolated classifiers by analyzing local interpolating schemes, including geometric simplicial interpolation algorithm and singularly weighted $k$-nearest neighbor schemes. Consistency or near-consistency is proved for these schemes in classification and regression problems. Moreover, the nearest neighbor schemes exhibit optimal rates under some standard statistical assumptions. Finally, this paper suggests a way to explain the phenomenon of adversarial examples, which are seemingly ubiquitous in modern machine learning, and also discusses some connections to kernel machines and random forests in the interpolated regime.

We consider an inexact variant of the popular Riemannian trust-region algorithm for structured big-data minimization problems. The proposed algorithm approximates the gradient and the Hessian in addition to the solution of a trust-region sub-problem. Addressing large-scale finite-sum problems, we specifically propose sub-sampled algorithms with a fixed bound on sub-sampled Hessian and gradient sizes, where the gradient and Hessian are computed by a random sampling technique. Numerical evaluations demonstrate that the proposed algorithms outperform state-of-the-art Riemannian deterministic and stochastic gradient algorithms across different applications.

We study adversarial perturbations when the instances are uniformly distributed over {0,1}^n. We study both "inherent" bounds that apply to any problem and any classifier for such a problem as well as bounds that apply to specific problems and specific hypothesis classes. As the current literature contains multiple definitions of adversarial risk and robustness, we start by giving a taxonomy for these definitions based on their direct goals; we identify one of them as the one guaranteeing misclassification by pushing the instances to the error region. We then study some classic algorithms for learning monotone conjunctions and compare their adversarial risk and robustness under different definitions by attacking the hypotheses using instances drawn from the uniform distribution. We observe that sometimes these definitions lead to significantly different bounds. Thus, this study advocates for the use of the error-region definition, even though other definitions, in other contexts with context-dependent assumptions, may coincide with the error-region definition. Using the error-region definition of adversarial perturbations, we then study inherent bounds on risk and robustness of any classifier for any classification problem whose instances are uniformly distributed over {0,1}^n. Using the isoperimetric inequality for the Boolean hypercube, we show that for initial error 0.01, there always exists an adversarial perturbation that changes O(√n) bits of the instances to increase the risk to 0.5, making classifier's decisions meaningless. Furthermore, by also using the central limit theorem we show that when n→∞, at most c√n bits of perturbations, for a universal constant c<1.17, suffice for increasing the risk to 0.5, and the same c√n bits of perturbations on average suffice to increase the risk to 1, hence bounding the robustness by c√n.