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Counterfactual explanations are usually generated through heuristics that are sensitive to the search's initial conditions. The absence of guarantees of performance and robustness hinders trustworthiness. In this paper, we take a disciplined approach towards counterfactual explanations for tree ensembles. We advocate for a model-based search aiming at "optimal" explanations and propose efficient mixed-integer programming approaches. We show that isolation forests can be modeled within our framework to focus the search on plausible explanations with a low outlier score. We provide comprehensive coverage of additional constraints that model important objectives, heterogeneous data types, structural constraints on the feature space, along with resource and actionability restrictions. Our experimental analyses demonstrate that the proposed search approach requires a computational effort that is orders of magnitude smaller than previous mathematical programming algorithms. It scales up to large data sets and tree ensembles, where it provides, within seconds, systematic explanations grounded on well-defined models solved to optimality.

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In this chapter, we discuss the mathematical modeling of egressing pedestrians in an unknown environment with multiple exits. We investigate different control problems to enhance the evacuation time of a crowd of agents, by few informed individuals, named leaders. Leaders are not recognizable as such and consist of two groups: a set of unaware leaders moving selfishly toward a fixed target, whereas the rest is coordinated to improve the evacuation time introducing different performance measures. Follower-leader dynamics is initially described microscopically by an agent-based model, subsequently a mean-field type model is introduced to approximate the large crowd of followers. The mesoscopic scale is efficiently solved by a class of numerical schemes based on direct simulation Monte-Carlo methods. Optimization of leader strategies is performed by a modified compass search method in the spirit of metaheuristic approaches. Finally, several virtual experiments are studied for various control settings and environments.

Knowledge about the software used in scientific investigations is necessary for different reasons, including provenance of the results, measuring software impact to attribute developers, and bibliometric software citation analysis in general. Additionally, providing information about whether and how the software and the source code are available allows an assessment about the state and role of open source software in science in general. While such analyses can be done manually, large scale analyses require the application of automated methods of information extraction and linking. In this paper, we present SoftwareKG - a knowledge graph that contains information about software mentions from more than 51,000 scientific articles from the social sciences. A silver standard corpus, created by a distant and weak supervision approach, and a gold standard corpus, created by manual annotation, were used to train an LSTM based neural network to identify software mentions in scientific articles. The model achieves a recognition rate of .82 F-score in exact matches. As a result, we identified more than 133,000 software mentions. For entity disambiguation, we used the public domain knowledge base DBpedia. Furthermore, we linked the entities of the knowledge graph to other knowledge bases such as the Microsoft Academic Knowledge Graph, the Software Ontology, and Wikidata. Finally, we illustrate, how SoftwareKG can be used to assess the role of software in the social sciences.

The same method that creates adversarial examples (AEs) to fool image-classifiers can be used to generate counterfactual explanations (CEs) that explain algorithmic decisions. This observation has led researchers to consider CEs as AEs by another name. We argue that the relationship to the true label and the tolerance with respect to proximity are two properties that formally distinguish CEs and AEs. Based on these arguments, we introduce CEs, AEs, and related concepts mathematically in a common framework. Furthermore, we show connections between current methods for generating CEs and AEs, and estimate that the fields will merge more and more as the number of common use-cases grows.

Semi-functional linear regression models postulate a linear relationship between a scalar response and a functional covariate, and also include a non-parametric component involving a univariate explanatory variable. It is of practical importance to obtain estimators for these models that are robust against high-leverage outliers, which are generally difficult to identify and may cause serious damage to least squares and Huber-type $M$-estimators. For that reason, robust estimators for semi-functional linear regression models are constructed combining $B$-splines to approximate both the functional regression parameter and the nonparametric component with robust regression estimators based on a bounded loss function and a preliminary residual scale estimator. Consistency and rates of convergence for the proposed estimators are derived under mild regularity conditions. The reported numerical experiments show the advantage of the proposed methodology over the classical least squares and Huber-type $M$-estimators for finite samples. The analysis of real examples illustrate that the robust estimators provide better predictions for non-outlying points than the classical ones, and that when potential outliers are removed from the training and test sets both methods behave very similarly.

The usage of smartphone-collected respiratory sound, trained with deep learning models, for detecting and classifying COVID-19 becomes popular recently. It removes the need for in-person testing procedures especially for rural regions where related medical supplies, experienced workers, and equipment are limited. However, existing sound-based diagnostic approaches are trained in a fully supervised manner, which requires large scale well-labelled data. It is critical to discover new methods to leverage unlabelled respiratory data, which can be obtained more easily. In this paper, we propose a novel self-supervised learning enabled framework for COVID-19 cough classification. A contrastive pre-training phase is introduced to train a Transformer-based feature encoder with unlabelled data. Specifically, we design a random masking mechanism to learn robust representations of respiratory sounds. The pre-trained feature encoder is then fine-tuned in the downstream phase to perform cough classification. In addition, different ensembles with varied random masking rates are also explored in the downstream phase. Through extensive evaluations, we demonstrate that the proposed contrastive pre-training, the random masking mechanism, and the ensemble architecture contribute to improving cough classification performance.

Optimizing ranking systems based on user interactions is a well-studied problem. State-of-the-art methods for optimizing ranking systems based on user interactions are divided into online approaches - that learn by directly interacting with users - and counterfactual approaches - that learn from historical interactions. Existing online methods are hindered without online interventions and thus should not be applied counterfactually. Conversely, counterfactual methods cannot directly benefit from online interventions. We propose a novel intervention-aware estimator for both counterfactual and online Learning to Rank (LTR). With the introduction of the intervention-aware estimator, we aim to bridge the online/counterfactual LTR division as it is shown to be highly effective in both online and counterfactual scenarios. The estimator corrects for the effect of position bias, trust bias, and item-selection bias by using corrections based on the behavior of the logging policy and on online interventions: changes to the logging policy made during the gathering of click data. Our experimental results, conducted in a semi-synthetic experimental setup, show that, unlike existing counterfactual LTR methods, the intervention-aware estimator can greatly benefit from online interventions.

Machine learning plays a role in many deployed decision systems, often in ways that are difficult or impossible to understand by human stakeholders. Explaining, in a human-understandable way, the relationship between the input and output of machine learning models is essential to the development of trustworthy machine-learning-based systems. A burgeoning body of research seeks to define the goals and methods of explainability in machine learning. In this paper, we seek to review and categorize research on counterfactual explanations, a specific class of explanation that provides a link between what could have happened had input to a model been changed in a particular way. Modern approaches to counterfactual explainability in machine learning draw connections to the established legal doctrine in many countries, making them appealing to fielded systems in high-impact areas such as finance and healthcare. Thus, we design a rubric with desirable properties of counterfactual explanation algorithms and comprehensively evaluate all currently-proposed algorithms against that rubric. Our rubric provides easy comparison and comprehension of the advantages and disadvantages of different approaches and serves as an introduction to major research themes in this field. We also identify gaps and discuss promising research directions in the space of counterfactual explainability.

Ensembles over neural network weights trained from different random initialization, known as deep ensembles, achieve state-of-the-art accuracy and calibration. The recently introduced batch ensembles provide a drop-in replacement that is more parameter efficient. In this paper, we design ensembles not only over weights, but over hyperparameters to improve the state of the art in both settings. For best performance independent of budget, we propose hyper-deep ensembles, a simple procedure that involves a random search over different hyperparameters, themselves stratified across multiple random initializations. Its strong performance highlights the benefit of combining models with both weight and hyperparameter diversity. We further propose a parameter efficient version, hyper-batch ensembles, which builds on the layer structure of batch ensembles and self-tuning networks. The computational and memory costs of our method are notably lower than typical ensembles. On image classification tasks, with MLP, LeNet, and Wide ResNet 28-10 architectures, our methodology improves upon both deep and batch ensembles.

Most existing work on automated fact checking is concerned with predicting the veracity of claims based on metadata, social network spread, language used in claims, and, more recently, evidence supporting or denying claims. A crucial piece of the puzzle that is still missing is to understand how to automate the most elaborate part of the process -- generating justifications for verdicts on claims. This paper provides the first study of how these explanations can be generated automatically based on available claim context, and how this task can be modelled jointly with veracity prediction. Our results indicate that optimising both objectives at the same time, rather than training them separately, improves the performance of a fact checking system. The results of a manual evaluation further suggest that the informativeness, coverage and overall quality of the generated explanations are also improved in the multi-task model.

Learning embedding functions, which map semantically related inputs to nearby locations in a feature space supports a variety of classification and information retrieval tasks. In this work, we propose a novel, generalizable and fast method to define a family of embedding functions that can be used as an ensemble to give improved results. Each embedding function is learned by randomly bagging the training labels into small subsets. We show experimentally that these embedding ensembles create effective embedding functions. The ensemble output defines a metric space that improves state of the art performance for image retrieval on CUB-200-2011, Cars-196, In-Shop Clothes Retrieval and VehicleID.

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