Clustering is one of the most widely used techniques for exploratory data analysis. Its goal is to divide the data points into several groups such that points in the same group are similar and points in different groups are dissimilar to each other. Spectral clustering has become increasingly popular due to its simple implementation and promising performance in many graph-based clustering. It can be solved efficiently by standard linear algebra software, and very often outperforms traditional algorithms such as the k-means algorithm. Here, we will try to explain very briefly how it works!

Reinforcement Learning (RL) refers to both the learning problem and the sub-field of machine learning which has lately been in the news for great reasons. RL based systems have now beaten world champions of Go, helped operate datacenters better and mastered a wide variety of Atari games. The research community is seeing many more promising results. With enough motivation, let us now take a look at the Reinforcement Learning problem. Reinforcement Learning is the most general description of the learning problem where the aim is to maximize a long-term objective.

Since their early days, humans have had an important, often antagonistic relationship with uncertainty; we try to kill it everywhere we find it. Without an explanation for many natural phenomena, humans invented gods to explain them, and without certainty of the future, they consulted oracles. It was precisely the oracle's role to reduce uncertainty for their fellow humans, predicting their future and giving counsel according to their gods' will, and even though their accuracy left much to be desired, they were believed, for any measure of certainty is better than none. As society grew sophisticated, oracles were (not completely) displaced by empiric thought, which proved much more successful at prediction and counsel. Empiricism itself evolved into the collection of techniques we call the scientific method, which has proven to be much more effective at reducing uncertainty, and is modern society's most trustworthy way of producing predictions.

Python continues to take leading positions in solving data science tasks and challenges. Last year we made a blog post overviewing the Python's libraries that proved to be the most helpful at that moment. This year, we expanded our list with new libraries and gave a fresh look to the ones we already talked about, focusing on the updates that have been made during the year. Our selection actually contains more than 20 libraries, as some of them are alternatives to each other and solve the same problem. Therefore we have grouped them as it's difficult to distinguish one particular leader at the moment.

Kleinberg introduced three natural clustering properties, or axioms, and showed they cannot be simultaneously satisfied by any clustering algorithm. We present a new clustering property, Monotonic Consistency, which avoids the well-known problematic behaviour of Kleinberg's Consistency axiom, and the impossibility result. Namely, we describe a clustering algorithm, Morse Clustering, inspired by Morse Theory in Differential Topology, which satisfies Kleinberg's original axioms with Consistency replaced by Monotonic Consistency. Morse clustering uncovers the underlying flow structure on a set or graph and returns a partition into trees representing basins of attraction of critical vertices. We also generalise Kleinberg's axiomatic approach to sparse graphs, showing an impossibility result for Consistency, and a possibility result for Monotonic Consistency and Morse clustering.

High dimensional structured data enriched model describes groups of observations by shared and per-group individual parameters, each with its own structure such as sparsity or group sparsity. In this paper, we consider the general form of data enrichment where data comes in a fixed but arbitrary number of groups G. Any convex function, e.g., norms, can characterize the structure of both shared and individual parameters. We propose an estimator for high dimensional data enriched model and provide conditions under which it consistently estimates both shared and individual parameters. We also delineate sample complexity of the estimator and present high probability non-asymptotic bound on estimation error of all parameters. Interestingly the sample complexity of our estimator translates to conditions on both per-group sample sizes and the total number of samples. We propose an iterative estimation algorithm with linear convergence rate and supplement our theoretical analysis with synthetic and real experimental results. Particularly, we show the predictive power of data-enriched model along with its interpretable results in anticancer drug sensitivity analysis.

While active learning offers potential cost savings, the actual data efficiency---the reduction in amount of labeled data needed to obtain the same error rate---observed in practice is mixed. This paper poses a basic question: when is active learning actually helpful? We provide an answer for logistic regression with the popular active learning algorithm, uncertainty sampling. Empirically, on 21 datasets from OpenML, we find a strong inverse correlation between data efficiency and the error rate of the final classifier. Theoretically, we show that for a variant of uncertainty sampling, the asymptotic data efficiency is within a constant factor of the inverse error rate of the limiting classifier.

We consider the problem of approximate $K$-means clustering with outliers and side information provided by same-cluster queries and possibly noisy answers. Our solution shows that, under some mild assumptions on the smallest cluster size, one can obtain an $(1+\epsilon)$-approximation for the optimal potential with probability at least $1-\delta$, where $\epsilon>0$ and $\delta\in(0,1)$, using an expected number of $O(\frac{K^3}{\epsilon \delta})$ noiseless same-cluster queries and comparison-based clustering of complexity $O(ndK + \frac{K^3}{\epsilon \delta})$, here, $n$ denotes the number of points and $d$ the dimension of space. Compared to a handful of other known approaches that perform importance sampling to account for small cluster sizes, the proposed query technique reduces the number of queries by a factor of roughly $O(\frac{K^6}{\epsilon^3})$, at the cost of possibly missing very small clusters. We extend this settings to the case where some queries to the oracle produce erroneous information, and where certain points, termed outliers, do not belong to any clusters. Our proof techniques differ from previous methods used for $K$-means clustering analysis, as they rely on estimating the sizes of the clusters and the number of points needed for accurate centroid estimation and subsequent nontrivial generalizations of the double Dixie cup problem. We illustrate the performance of the proposed algorithm both on synthetic and real datasets, including MNIST and CIFAR $10$.

Tensor networks have found a wide use in a variety of applications in physics and computer science, recently leading to both theoretical insights as well as practical algorithms in machine learning. In this work we explore the connection between tensor networks and probabilistic graphical models, and show that it motivates the definition of generalized tensor networks where information from a tensor can be copied and reused in other parts of the network. We discuss the relationship between generalized tensor network architectures used in quantum physics, such as String-Bond States and Entangled Plaquette States, and architectures commonly used in machine learning. We provide an algorithm to train these networks in a supervised learning context and show that they overcome the limitations of regular tensor networks in higher dimensions, while keeping the computation efficient. A method to combine neural networks and tensor networks as part of a common deep learning architecture is also introduced. We benchmark our algorithm for several generalized tensor network architectures on the task of classifying images and sounds, and show that they outperform previously introduced tensor network algorithms. Some of the models we consider can be realized on a quantum computer and may guide the development of near-term quantum machine learning architectures.

We consider the problem of learning a low-rank matrix, constrained to lie in a linear subspace, and introduce a novel factorization for modeling such matrices. A salient feature of the proposed factorization scheme is it decouples the low-rank and the structural constraints onto separate factors. We formulate the optimization problem on the Riemannian spectrahedron manifold, where the Riemannian framework allows to develop computationally efficient conjugate gradient and trust-region algorithms. Experiments on problems such as standard/robust/nonnegative matrix completion, Hankel matrix learning and multi-task learning demonstrate the efficacy of our approach. A shorter version of this work has been published in ICML'18 (Jawanpuria and Mishra, 2018).