Krzysztof Dembczyński

Thomas Mortier, Eyke Hüllermeier, Krzysztof Dembczyński et al.

Set-valued prediction is a well-known concept in multi-class classification. When a classifier is uncertain about the class label for a test instance, it can predict a set of classes instead of a single class. In this paper, we focus on hierarchical multi-class classification problems, where valid sets (typically) correspond to internal nodes of the hierarchy. We argue that this is a very strong restriction, and we propose a relaxation by introducing the notion of representation complexity for a predicted set. In combination with probabilistic classifiers, this leads to a challenging inference problem for which specific combinatorial optimization algorithms are needed. We propose three methods and evaluate them on benchmark datasets: a naïve approach that is based on matrix-vector multiplication, a reformulation as a knapsack problem with conflict graph, and a recursive tree search method. Experimental results demonstrate that the last method is computationally more efficient than the other two approaches, due to a hierarchical factorization of the conditional class distribution.

Erik Schultheis, Marek Wydmuch, Rohit Babbar et al.

The propensity model introduced by Jain et al. 2016 has become a standard approach for dealing with missing and long-tail labels in extreme multi-label classification (XMLC). In this paper, we critically revise this approach showing that despite its theoretical soundness, its application in contemporary XMLC works is debatable. We exhaustively discuss the flaws of the propensity-based approach, and present several recipes, some of them related to solutions used in search engines and recommender systems, that we believe constitute promising alternatives to be followed in XMLC.

Erik Schultheis, Marek Wydmuch, Wojciech Kotłowski et al.

Extreme multi-label classification (XMLC) is the task of selecting a small subset of relevant labels from a very large set of possible labels. As such, it is characterized by long-tail labels, i.e., most labels have very few positive instances. With standard performance measures such as precision@k, a classifier can ignore tail labels and still report good performance. However, it is often argued that correct predictions in the tail are more "interesting" or "rewarding," but the community has not yet settled on a metric capturing this intuitive concept. The existing propensity-scored metrics fall short on this goal by confounding the problems of long-tail and missing labels. In this paper, we analyze generalized metrics budgeted "at k" as an alternative solution. To tackle the challenging problem of optimizing these metrics, we formulate it in the expected test utility (ETU) framework, which aims to optimize the expected performance on a fixed test set. We derive optimal prediction rules and construct computationally efficient approximations with provable regret guarantees and robustness against model misspecification. Our algorithm, based on block coordinate ascent, scales effortlessly to XMLC problems and obtains promising results in terms of long-tail performance.

Erik Schultheis, Wojciech Kotłowski, Marek Wydmuch et al.

We consider the optimization of complex performance metrics in multi-label classification under the population utility framework. We mainly focus on metrics linearly decomposable into a sum of binary classification utilities applied separately to each label with an additional requirement of exactly $k$ labels predicted for each instance. These "macro-at-$k$" metrics possess desired properties for extreme classification problems with long tail labels. Unfortunately, the at-$k$ constraint couples the otherwise independent binary classification tasks, leading to a much more challenging optimization problem than standard macro-averages. We provide a statistical framework to study this problem, prove the existence and the form of the optimal classifier, and propose a statistically consistent and practical learning algorithm based on the Frank-Wolfe method. Interestingly, our main results concern even more general metrics being non-linear functions of label-wise confusion matrices. Empirical results provide evidence for the competitive performance of the proposed approach.

Yan Chen, Jose Blanchet, Krzysztof Dembczynski et al.

Downsampling or under-sampling is a technique that is utilized in the context of large and highly imbalanced classification models. We study optimal downsampling for imbalanced classification using generalized linear models (GLMs). We propose a pseudo maximum likelihood estimator and study its asymptotic normality in the context of increasingly imbalanced populations relative to an increasingly large sample size. We provide theoretical guarantees for the introduced estimator. Additionally, we compute the optimal downsampling rate using a criterion that balances statistical accuracy and computational efficiency. Our numerical experiments, conducted on both synthetic and empirical data, further validate our theoretical results, and demonstrate that the introduced estimator outperforms commonly available alternatives.

Wojciech Kotłowski, Marek Wydmuch, Erik Schultheis et al.

We consider sequential maximization of performance metrics that are general functions of a confusion matrix of a classifier (such as precision, F-measure, or G-mean). Such metrics are, in general, non-decomposable over individual instances, making their optimization very challenging. While they have been extensively studied under different frameworks in the batch setting, their analysis in the online learning regime is very limited, with only a few distinguished exceptions. In this paper, we introduce and analyze a general online algorithm that can be used in a straightforward way with a variety of complex performance metrics in binary, multi-class, and multi-label classification problems. The algorithm's update and prediction rules are appealingly simple and computationally efficient without the need to store any past data. We show the algorithm attains $\mathcal{O}(\frac{\ln n}{n})$ regret for concave and smooth metrics and verify the efficiency of the proposed algorithm in empirical studies.

Marek Wydmuch, Kalina Jasinska-Kobus, Rohit Babbar et al.

Extreme multi-label classification (XMLC) refers to the task of tagging instances with small subsets of relevant labels coming from an extremely large set of all possible labels. Recently, XMLC has been widely applied to diverse web applications such as automatic content labeling, online advertising, or recommendation systems. In such environments, label distribution is often highly imbalanced, consisting mostly of very rare tail labels, and relevant labels can be missing. As a remedy to these problems, the propensity model has been introduced and applied within several XMLC algorithms. In this work, we focus on the problem of optimal predictions under this model for probabilistic label trees, a popular approach for XMLC problems. We introduce an inference procedure, based on the $A^*$-search algorithm, that efficiently finds the optimal solution, assuming that all probabilities and propensities are known. We demonstrate the attractiveness of this approach in a wide empirical study on popular XMLC benchmark datasets.

Kalina Jasinska-Kobus, Marek Wydmuch, Krzysztof Dembczynski et al.

Extreme multi-label classification (XMLC) is a learning task of tagging instances with a small subset of relevant labels chosen from an extremely large pool of possible labels. Problems of this scale can be efficiently handled by organizing labels as a tree, like in hierarchical softmax used for multi-class problems. In this paper, we thoroughly investigate probabilistic label trees (PLTs) which can be treated as a generalization of hierarchical softmax for multi-label problems. We first introduce the PLT model and discuss training and inference procedures and their computational costs. Next, we prove the consistency of PLTs for a wide spectrum of performance metrics. To this end, we upperbound their regret by a function of surrogate-loss regrets of node classifiers. Furthermore, we consider a problem of training PLTs in a fully online setting, without any prior knowledge of training instances, their features, or labels. In this case, both node classifiers and the tree structure are trained online. We prove a specific equivalence between the fully online algorithm and an algorithm with a tree structure given in advance. Finally, we discuss several implementations of PLTs and introduce a new one, napkinXC, which we empirically evaluate and compare with state-of-the-art algorithms.

Kalina Jasinska-Kobus, Marek Wydmuch, Devanathan Thiruvenkatachari et al.

We introduce online probabilistic label trees (OPLTs), an algorithm that trains a label tree classifier in a fully online manner without any prior knowledge about the number of training instances, their features and labels. OPLTs are characterized by low time and space complexity as well as strong theoretical guarantees. They can be used for online multi-label and multi-class classification, including the very challenging scenarios of one- or few-shot learning. We demonstrate the attractiveness of OPLTs in a wide empirical study on several instances of the tasks mentioned above.

Thomas Mortier, Marek Wydmuch, Krzysztof Dembczyński et al.

In cases of uncertainty, a multi-class classifier preferably returns a set of candidate classes instead of predicting a single class label with little guarantee. More precisely, the classifier should strive for an optimal balance between the correctness (the true class is among the candidates) and the precision (the candidates are not too many) of its prediction. We formalize this problem within a general decision-theoretic framework that unifies most of the existing work in this area. In this framework, uncertainty is quantified in terms of conditional class probabilities, and the quality of a predicted set is measured in terms of a utility function. We then address the problem of finding the Bayes-optimal prediction, i.e., the subset of class labels with highest expected utility. For this problem, which is computationally challenging as there are exponentially (in the number of classes) many predictions to choose from, we propose efficient algorithms that can be applied to a broad family of utility functions. Our theoretical results are complemented by experimental studies, in which we analyze the proposed algorithms in terms of predictive accuracy and runtime efficiency.

Robert Busa-Fekete, Krzysztof Dembczynski, Alexander Golovnev et al.

Label tree-based algorithms are widely used to tackle multi-class and multi-label problems with a large number of labels. We focus on a particular subclass of these algorithms that use probabilistic classifiers in the tree nodes. Examples of such algorithms are hierarchical softmax (HSM), designed for multi-class classification, and probabilistic label trees (PLTs) that generalize HSM to multi-label problems. If the tree structure is given, learning of PLT can be solved with provable regret guaranties [Wydmuch et.al. 2018]. However, to find a tree structure that results in a PLT with a low training and prediction computational costs as well as low statistical error seems to be a very challenging problem, not well-understood yet. In this paper, we address the problem of finding a tree structure that has low computational cost. First, we show that finding a tree with optimal training cost is NP-complete, nevertheless there are some tractable special cases with either perfect approximation or exact solution that can be obtained in linear time in terms of the number of labels $m$. For the general case, we obtain $O(\log m)$ approximation in linear time too. Moreover, we prove an upper bound on the expected prediction cost expressed in terms of the expected training cost. We also show that under additional assumptions the prediction cost of a PLT is $O(\log m)$.

Marek Wydmuch, Kalina Jasinska, Mikhail Kuznetsov et al.

Extreme multi-label classification (XMLC) is a problem of tagging an instance with a small subset of relevant labels chosen from an extremely large pool of possible labels. Large label spaces can be efficiently handled by organizing labels as a tree, like in the hierarchical softmax (HSM) approach commonly used for multi-class problems. In this paper, we investigate probabilistic label trees (PLTs) that have been recently devised for tackling XMLC problems. We show that PLTs are a no-regret multi-label generalization of HSM when precision@k is used as a model evaluation metric. Critically, we prove that pick-one-label heuristic - a reduction technique from multi-label to multi-class that is routinely used along with HSM - is not consistent in general. We also show that our implementation of PLTs, referred to as extremeText (XT), obtains significantly better results than HSM with the pick-one-label heuristic and XML-CNN, a deep network specifically designed for XMLC problems. Moreover, XT is competitive to many state-of-the-art approaches in terms of statistical performance, model size and prediction time which makes it amenable to deploy in an online system.

Willem Waegeman, Krzysztof Dembczynski, Eyke Huellermeier

Multi-target prediction (MTP) is concerned with the simultaneous prediction of multiple target variables of diverse type. Due to its enormous application potential, it has developed into an active and rapidly expanding research field that combines several subfields of machine learning, including multivariate regression, multi-label classification, multi-task learning, dyadic prediction, zero-shot learning, network inference, and matrix completion. In this paper, we present a unifying view on MTP problems and methods. First, we formally discuss commonalities and differences between existing MTP problems. To this end, we introduce a general framework that covers the above subfields as special cases. As a second contribution, we provide a structured overview of MTP methods. This is accomplished by identifying a number of key properties, which distinguish such methods and determine their suitability for different types of problems. Finally, we also discuss a few challenges for future research.

Wojciech Kotłowski, Krzysztof Dembczyński

We consider optimization of generalized performance metrics for binary classification by means of surrogate losses. We focus on a class of metrics, which are linear-fractional functions of the false positive and false negative rates (examples of which include $F_β$-measure, Jaccard similarity coefficient, AM measure, and many others). Our analysis concerns the following two-step procedure. First, a real-valued function $f$ is learned by minimizing a surrogate loss for binary classification on the training sample. It is assumed that the surrogate loss is a strongly proper composite loss function (examples of which include logistic loss, squared-error loss, exponential loss, etc.). Then, given $f$, a threshold $\widehatθ$ is tuned on a separate validation sample, by direct optimization of the target performance metric. We show that the regret of the resulting classifier (obtained from thresholding $f$ on $\widehatθ$) measured with respect to the target metric is upperbounded by the regret of $f$ measured with respect to the surrogate loss. We also extend our results to cover multilabel classification and provide regret bounds for micro- and macro-averaging measures. Our findings are further analyzed in a computational study on both synthetic and real data sets.

Willem Waegeman, Krzysztof Dembczynski, Arkadiusz Jachnik et al.

The F-measure, which has originally been introduced in information retrieval, is nowadays routinely used as a performance metric for problems such as binary classification, multi-label classification, and structured output prediction. Optimizing this measure is a statistically and computationally challenging problem, since no closed-form solution exists. Adopting a decision-theoretic perspective, this article provides a formal and experimental analysis of different approaches for maximizing the F-measure. We start with a Bayes-risk analysis of related loss functions, such as Hamming loss and subset zero-one loss, showing that optimizing such losses as a surrogate of the F-measure leads to a high worst-case regret. Subsequently, we perform a similar type of analysis for F-measure maximizing algorithms, showing that such algorithms are approximate, while relying on additional assumptions regarding the statistical distribution of the binary response variables. Furthermore, we present a new algorithm which is not only computationally efficient but also Bayes-optimal, regardless of the underlying distribution. To this end, the algorithm requires only a quadratic (with respect to the number of binary responses) number of parameters of the joint distribution. We illustrate the practical performance of all analyzed methods by means of experiments with multi-label classification problems.

Krzysztof Dembczynski, Wojciech Kotlowski, Eyke Huellermeier

We consider the problem of rank loss minimization in the setting of multilabel classification, which is usually tackled by means of convex surrogate losses defined on pairs of labels. Very recently, this approach was put into question by a negative result showing that commonly used pairwise surrogate losses, such as exponential and logistic losses, are inconsistent. In this paper, we show a positive result which is arguably surprising in light of the previous one: the simpler univariate variants of exponential and logistic surrogates (i.e., defined on single labels) are consistent for rank loss minimization. Instead of directly proving convergence, we give a much stronger result by deriving regret bounds and convergence rates. The proposed losses suggest efficient and scalable algorithms, which are tested experimentally.