arXiv subjects

Eyke Hüllermeier

Publications and source records attributed to Eyke Hüllermeier.

At least 109 records · Page 6Linked to original sources

arXiv2023

Conformal Prediction with Partially Labeled Data

While the predictions produced by conformal prediction are set-valued, the data used for training and calibration is supposed to be precise. In the setting of superset learning or learning from partial labels, a variant of weakly supervised learning, it is exactly the other way around: training data is possibly imprecise (set-valued), but the model induced from this data yields precise predictions. In this paper, we combine the two settings by making conformal prediction amenable to set-valued training data. We propose a generalization of the conformal prediction procedure that can be applied to set-valued training and calibration data. We prove the validity of the proposed method and present experimental studies in which it compares favorably to natural baselines.

cs.LG↗

arXiv2023

UNGOML: Automated Classification of unsafe Usages in Go

The Go programming language offers strong protection from memory corruption. As an escape hatch of these protections, it provides the unsafe package. Previous studies identified that this unsafe package is frequently used in real-world code for several purposes, e.g., serialization or casting types. Due to the variety of these reasons, it may be possible to refactor specific usages to avoid potential vulnerabilities. However, the classification of unsafe usages is challenging and requires the context of the call and the program's structure. In this paper, we present the first automated classifier for unsafe usages in Go, UNGOML, to identify what is done with the unsafe package and why it is used. For UNGOML, we built four custom deep learning classifiers trained on a manually labeled data set. We represent Go code as enriched control-flow graphs (CFGs) and solve the label prediction task with one single-vertex and three context-aware classifiers. All three context-aware classifiers achieve a top-1 accuracy of more than 86% for both dimensions, WHAT and WHY. Furthermore, in a set-valued conformal prediction setting, we achieve accuracies of more than 93% with mean label set sizes of 2 for both dimensions. Thus, UNGOML can be used to efficiently filter unsafe usages for use cases such as refactoring or a security audit. UNGOML: https://github.com/stg-tud/ungoml Artifact: https://dx.doi.org/10.6084/m9.figshare.22293052

cs.SE↗

arXiv2023

Detecting Novelties with Empty Classes

For open world applications, deep neural networks (DNNs) need to be aware of previously unseen data and adaptable to evolving environments. Furthermore, it is desirable to detect and learn novel classes which are not included in the DNNs underlying set of semantic classes in an unsupervised fashion. The method proposed in this article builds upon anomaly detection to retrieve out-of-distribution (OoD) data as candidates for new classes. We thereafter extend the DNN by $k$ empty classes and fine-tune it on the OoD data samples. To this end, we introduce two loss functions, which 1) entice the DNN to assign OoD samples to the empty classes and 2) to minimize the inner-class feature distances between them. Thus, instead of ground truth which contains labels for the different novel classes, the DNN obtains a single OoD label together with a distance matrix, which is computed in advance. We perform several experiments for image classification and semantic segmentation, which demonstrate that a DNN can extend its own semantic space by multiple classes without having access to ground truth.

cs.CV↗

arXiv2023

On the Calibration of Probabilistic Classifier Sets

Multi-class classification methods that produce sets of probabilistic classifiers, such as ensemble learning methods, are able to model aleatoric and epistemic uncertainty. Aleatoric uncertainty is then typically quantified via the Bayes error, and epistemic uncertainty via the size of the set. In this paper, we extend the notion of calibration, which is commonly used to evaluate the validity of the aleatoric uncertainty representation of a single probabilistic classifier, to assess the validity of an epistemic uncertainty representation obtained by sets of probabilistic classifiers. Broadly speaking, we call a set of probabilistic classifiers calibrated if one can find a calibrated convex combination of these classifiers. To evaluate this notion of calibration, we propose a novel nonparametric calibration test that generalizes an existing test for single probabilistic classifiers to the case of sets of probabilistic classifiers. Making use of this test, we empirically show that ensembles of deep neural networks are often not well calibrated.

stat.ML↗

arXiv2023

Memorization-Dilation: Modeling Neural Collapse Under Label Noise

The notion of neural collapse refers to several emergent phenomena that have been empirically observed across various canonical classification problems. During the terminal phase of training a deep neural network, the feature embedding of all examples of the same class tend to collapse to a single representation, and the features of different classes tend to separate as much as possible. Neural collapse is often studied through a simplified model, called the unconstrained feature representation, in which the model is assumed to have "infinite expressivity" and can map each data point to any arbitrary representation. In this work, we propose a more realistic variant of the unconstrained feature representation that takes the limited expressivity of the network into account. Empirical evidence suggests that the memorization of noisy data points leads to a degradation (dilation) of the neural collapse. Using a model of the memorization-dilation (M-D) phenomenon, we show one mechanism by which different losses lead to different performances of the trained network on noisy data. Our proofs reveal why label smoothing, a modification of cross-entropy empirically observed to produce a regularization effect, leads to improved generalization in classification tasks.

cs.LG↗

arXiv2023

Optimizing Data Shapley Interaction Calculation from O(2^n) to O(t n^2) for KNN models

With the rapid growth of data availability and usage, quantifying the added value of each training data point has become a crucial process in the field of artificial intelligence. The Shapley values have been recognized as an effective method for data valuation, enabling efficient training set summarization, acquisition, and outlier removal. In this paper, we introduce "STI-KNN", an innovative algorithm that calculates the exact pair-interaction Shapley values for KNN models in O(t n^2) time, which is a significant improvement over the O(2^n)$ time complexity of baseline methods. By using STI-KNN, we can efficiently and accurately evaluate the value of individual data points, leading to improved training outcomes and ultimately enhancing the effectiveness of artificial intelligence applications.

cs.LG↗

arXiv2023

Iterative Deepening Hyperband

Hyperparameter optimization (HPO) is concerned with the automated search for the most appropriate hyperparameter configuration (HPC) of a parameterized machine learning algorithm. A state-of-the-art HPO method is Hyperband, which, however, has its own parameters that influence its performance. One of these parameters, the maximal budget, is especially problematic: If chosen too small, the budget needs to be increased in hindsight and, as Hyperband is not incremental by design, the entire algorithm must be re-run. This is not only costly but also comes with a loss of valuable knowledge already accumulated. In this paper, we propose incremental variants of Hyperband that eliminate these drawbacks, and show that these variants satisfy theoretical guarantees qualitatively similar to those for the original Hyperband with the "right" budget. Moreover, we demonstrate their practical utility in experiments with benchmark data sets.

cs.LG↗

arXiv2023

On Second-Order Scoring Rules for Epistemic Uncertainty Quantification

It is well known that accurate probabilistic predictors can be trained through empirical risk minimisation with proper scoring rules as loss functions. While such learners capture so-called aleatoric uncertainty of predictions, various machine learning methods have recently been developed with the goal to let the learner also represent its epistemic uncertainty, i.e., the uncertainty caused by a lack of knowledge and data. An emerging branch of the literature proposes the use of a second-order learner that provides predictions in terms of distributions on probability distributions. However, recent work has revealed serious theoretical shortcomings for second-order predictors based on loss minimisation. In this paper, we generalise these findings and prove a more fundamental result: There seems to be no loss function that provides an incentive for a second-order learner to faithfully represent its epistemic uncertainty in the same manner as proper scoring rules do for standard (first-order) learners. As a main mathematical tool to prove this result, we introduce the generalised notion of second-order scoring rules.

cs.LG↗

arXiv2022

Conformal Prediction Intervals for Remaining Useful Lifetime Estimation

The main objective of Prognostics and Health Management is to estimate the Remaining Useful Lifetime (RUL), namely, the time that a system or a piece of equipment is still in working order before starting to function incorrectly. In recent years, numerous machine learning algorithms have been proposed for RUL estimation, mainly focusing on providing more accurate RUL predictions. However, there are many sources of uncertainty in the problem, such as inherent randomness of systems failure, lack of knowledge regarding their future states, and inaccuracy of the underlying predictive models, making it infeasible to predict the RULs precisely. Hence, it is of utmost importance to quantify the uncertainty alongside the RUL predictions. In this work, we investigate the conformal prediction (CP) framework that represents uncertainty by predicting sets of possible values for the target variable (intervals in the case of RUL) instead of making point predictions. Under very mild technical assumptions, CP formally guarantees that the actual value (true RUL) is covered by the predicted set with a degree of certainty that can be prespecified. We study three CP algorithms to conformalize any single-point RUL predictor and turn it into a valid interval predictor. Finally, we conformalize two single-point RUL predictors, deep convolutional neural networks and gradient boosting, and illustrate their performance on the Commercial Modular Aero-Propulsion System Simulation (C-MAPSS) data sets.

cs.LG↗

arXiv2022

AC-Band: A Combinatorial Bandit-Based Approach to Algorithm Configuration

We study the algorithm configuration (AC) problem, in which one seeks to find an optimal parameter configuration of a given target algorithm in an automated way. Recently, there has been significant progress in designing AC approaches that satisfy strong theoretical guarantees. However, a significant gap still remains between the practical performance of these approaches and state-of-the-art heuristic methods. To this end, we introduce AC-Band, a general approach for the AC problem based on multi-armed bandits that provides theoretical guarantees while exhibiting strong practical performance. We show that AC-Band requires significantly less computation time than other AC approaches providing theoretical guarantees while still yielding high-quality configurations.

cs.LG↗

arXiv2022

Multi-Armed Bandits with Censored Consumption of Resources

We consider a resource-aware variant of the classical multi-armed bandit problem: In each round, the learner selects an arm and determines a resource limit. It then observes a corresponding (random) reward, provided the (random) amount of consumed resources remains below the limit. Otherwise, the observation is censored, i.e., no reward is obtained. For this problem setting, we introduce a measure of regret, which incorporates the actual amount of allocated resources of each learning round as well as the optimality of realizable rewards. Thus, to minimize regret, the learner needs to set a resource limit and choose an arm in such a way that the chance to realize a high reward within the predefined resource limit is high, while the resource limit itself should be kept as low as possible. We propose a UCB-inspired online learning algorithm, which we analyze theoretically in terms of its regret upper bound. In a simulation study, we show that our learning algorithm outperforms straightforward extensions of standard multi-armed bandit algorithms.

cs.LG↗

arXiv2022

Finding Optimal Arms in Non-stochastic Combinatorial Bandits with Semi-bandit Feedback and Finite Budget

We consider the combinatorial bandits problem with semi-bandit feedback under finite sampling budget constraints, in which the learner can carry out its action only for a limited number of times specified by an overall budget. The action is to choose a set of arms, whereupon feedback for each arm in the chosen set is received. Unlike existing works, we study this problem in a non-stochastic setting with subset-dependent feedback, i.e., the semi-bandit feedback received could be generated by an oblivious adversary and also might depend on the chosen set of arms. In addition, we consider a general feedback scenario covering both the numerical-based as well as preference-based case and introduce a sound theoretical framework for this setting guaranteeing sensible notions of optimal arms, which a learner seeks to find. We suggest a generic algorithm suitable to cover the full spectrum of conceivable arm elimination strategies from aggressive to conservative. Theoretical questions about the sufficient and necessary budget of the algorithm to find the best arm are answered and complemented by deriving lower bounds for any learning algorithm for this problem scenario.

cs.LG↗

arXiv2022

Stochastic Contextual Dueling Bandits under Linear Stochastic Transitivity Models

We consider the regret minimization task in a dueling bandits problem with context information. In every round of the sequential decision problem, the learner makes a context-dependent selection of two choice alternatives (arms) to be compared with each other and receives feedback in the form of noisy preference information. We assume that the feedback process is determined by a linear stochastic transitivity model with contextualized utilities (CoLST), and the learner's task is to include the best arm (with highest latent context-dependent utility) in the duel. We propose a computationally efficient algorithm, $\texttt{CoLSTIM}$, which makes its choice based on imitating the feedback process using perturbed context-dependent utility estimates of the underlying CoLST model. If each arm is associated with a $d$-dimensional feature vector, we show that $\texttt{CoLSTIM}$ achieves a regret of order $\tilde O( \sqrt{dT})$ after $T$ learning rounds. Additionally, we also establish the optimality of $\texttt{CoLSTIM}$ by showing a lower bound for the weak regret that refines the existing average regret analysis. Our experiments demonstrate its superiority over state-of-art algorithms for special cases of CoLST models.

cs.LG↗

arXiv2022

Pitfalls of Epistemic Uncertainty Quantification through Loss Minimisation

Uncertainty quantification has received increasing attention in machine learning in the recent past. In particular, a distinction between aleatoric and epistemic uncertainty has been found useful in this regard. The latter refers to the learner's (lack of) knowledge and appears to be especially difficult to measure and quantify. In this paper, we analyse a recent proposal based on the idea of a second-order learner, which yields predictions in the form of distributions over probability distributions. While standard (first-order) learners can be trained to predict accurate probabilities, namely by minimising suitable loss functions on sample data, we show that loss minimisation does not work for second-order predictors: The loss functions proposed for inducing such predictors do not incentivise the learner to represent its epistemic uncertainty in a faithful way.

cs.LG↗

arXiv2022

A Survey of Methods for Automated Algorithm Configuration

Algorithm configuration (AC) is concerned with the automated search of the most suitable parameter configuration of a parametrized algorithm. There is currently a wide variety of AC problem variants and methods proposed in the literature. Existing reviews do not take into account all derivatives of the AC problem, nor do they offer a complete classification scheme. To this end, we introduce taxonomies to describe the AC problem and features of configuration methods, respectively. We review existing AC literature within the lens of our taxonomies, outline relevant design choices of configuration approaches, contrast methods and problem variants against each other, and describe the state of AC in industry. Finally, our review provides researchers and practitioners with a look at future research directions in the field of AC.

cs.AI↗

arXiv2022

Do We Need Another Explainable AI Method? Toward Unifying Post-hoc XAI Evaluation Methods into an Interactive and Multi-dimensional Benchmark

In recent years, Explainable AI (xAI) attracted a lot of attention as various countries turned explanations into a legal right. xAI allows for improving models beyond the accuracy metric by, e.g., debugging the learned pattern and demystifying the AI's behavior. The widespread use of xAI brought new challenges. On the one hand, the number of published xAI algorithms underwent a boom, and it became difficult for practitioners to select the right tool. On the other hand, some experiments did highlight how easy data scientists could misuse xAI algorithms and misinterpret their results. To tackle the issue of comparing and correctly using feature importance xAI algorithms, we propose Compare-xAI, a benchmark that unifies all exclusive functional testing methods applied to xAI algorithms. We propose a selection protocol to shortlist non-redundant functional tests from the literature, i.e., each targeting a specific end-user requirement in explaining a model. The benchmark encapsulates the complexity of evaluating xAI methods into a hierarchical scoring of three levels, namely, targeting three end-user groups: researchers, practitioners, and laymen in xAI. The most detailed level provides one score per test. The second level regroups tests into five categories (fidelity, fragility, stability, simplicity, and stress tests). The last level is the aggregated comprehensibility score, which encapsulates the ease of correctly interpreting the algorithm's output in one easy to compare value. Compare-xAI's interactive user interface helps mitigate errors in interpreting xAI results by quickly listing the recommended xAI solutions for each ML task and their current limitations. The benchmark is made available at https://karim-53.github.io/cxai/

cs.SE↗

arXiv2022

Incremental Permutation Feature Importance (iPFI): Towards Online Explanations on Data Streams

Explainable Artificial Intelligence (XAI) has mainly focused on static learning scenarios so far. We are interested in dynamic scenarios where data is sampled progressively, and learning is done in an incremental rather than a batch mode. We seek efficient incremental algorithms for computing feature importance (FI) measures, specifically, an incremental FI measure based on feature marginalization of absent features similar to permutation feature importance (PFI). We propose an efficient, model-agnostic algorithm called iPFI to estimate this measure incrementally and under dynamic modeling conditions including concept drift. We prove theoretical guarantees on the approximation quality in terms of expectation and variance. To validate our theoretical findings and the efficacy of our approaches compared to traditional batch PFI, we conduct multiple experimental studies on benchmark data with and without concept drift.

cs.LG↗

arXiv2022

Set-valued prediction in hierarchical classification with constrained representation complexity

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.

cs.LG↗