Cross-validation of predictive models is the de-facto standard for model selection and evaluation. In proper use, it provides an unbiased estimate of a model's predictive performance. However, data sets often undergo a preliminary data-dependent transformation, such as feature rescaling or dimensionality reduction, prior to cross-validation. It is widely believed that such a preprocessing stage, if done in an unsupervised manner that does not consider the class labels or response values, has no effect on the validity of cross-validation. In this paper, we show that this belief is not true. Preliminary preprocessing can introduce either a positive or negative bias into the estimates of model performance. Thus, it may lead to sub-optimal choices of model parameters and invalid inference. In light of this, the scientific community should re-examine the use of preliminary preprocessing prior to cross-validation across the various application domains. By default, all data transformations, including unsupervised preprocessing stages, should be learned only from the training samples, and then merely applied to the validation and testing samples.

Though deep neural networks have achieved significant progress on various tasks, often enhanced by model ensemble, existing high-performance models can be vulnerable to adversarial attacks. Many efforts have been devoted to enhancing the robustness of individual networks and then constructing a straightforward ensemble, e.g., by directly averaging the outputs, which ignores the interaction among networks. This paper presents a new method that explores the interaction among individual networks to improve robustness for ensemble models. Technically, we define a new notion of ensemble diversity in the adversarial setting as the diversity among non-maximal predictions of individual members, and present an adaptive diversity promoting (ADP) regularizer to encourage the diversity, which leads to globally better robustness for the ensemble by making adversarial examples difficult to transfer among individual members. Our method is computationally efficient and compatible with the defense methods acting on individual networks. Empirical results on various datasets verify that our method can improve adversarial robustness while maintaining state-of-the-art accuracy on normal examples.

The aim of this paper was to compare soft confusion matrix approach and Bayes metaclassifier under the multi-label classification framework. Although the methods were successfully applied under the multi-label classification framework, they have not been compared directly thus far. Such comparison is of vital importance because both methods are quite similar as they are both based on the concept of randomized reference classifier. Since both algorithms were designed to deal with single-label problems, they are combined with the problem-transformation approach to multi-label classification. Present study included 29 benchmark datasets and four different base classifiers. The algorithms were compared in terms of 11 quality criteria and the results were subjected to statistical analysis.

We clarify what fairness guarantees we can and cannot expect to follow from unconstrained machine learning. Specifically, we characterize when unconstrained learning on its own implies group calibration, that is, the outcome variable is conditionally independent of group membership given the score. We show that under reasonable conditions, the deviation from satisfying group calibration is upper bounded by the excess risk of the learned score relative to the Bayes optimal score function. A lower bound confirms the optimality of our upper bound. Moreover, we prove that as the excess risk of the learned score decreases, it strongly violates separation and independence, two other standard fairness criteria. Our results show that group calibration is the fairness criterion that unconstrained learning implicitly favors. On the one hand, this means that calibration is often satisfied on its own without the need for active intervention, albeit at the cost of violating other criteria that are at odds with calibration. On the other hand, it suggests that we should be satisfied with calibration as a fairness criterion only if we are at ease with the use of unconstrained machine learning in a given application.

BACKGROUND AND PURPOSE: Distinct molecular subgroups of pediatric medulloblastoma confer important differences in prognosis and therapy. Currently, tissue sampling is the only method to obtain information for classification. Our goal was to develop and validate radiomic and machine learning approaches for predicting molecular subgroups of pediatric medulloblastoma. MATERIALS AND METHODS: In this multi-institutional retrospective study, we evaluated MR imaging datasets of 109 pediatric patients with medulloblastoma from 3 children's hospitals from January 2001 to January 2014. A computational framework was developed to extract MR imaging–based radiomic features from tumor segmentations, and we tested 2 predictive models: a double 10-fold cross-validation using a combined dataset consisting of all 3 patient cohorts and a 3-dataset cross-validation, in which training was performed on 2 cohorts and testing was performed on the third independent cohort. We used the Wilcoxon rank sum test for feature selection with assessment of area under the receiver operating characteristic curve to evaluate model performance.

This paper aims to explore models based on the extreme gradient boosting (XGBoost) approach for business risk classification. Feature selection (FS) algorithms and hyper-parameter optimizations are simultaneously considered during model training. The five most commonly used FS methods including weight by Gini, weight by Chi-square, hierarchical variable clustering, weight by correlation, and weight by information are applied to alleviate the effect of redundant features. Two hyper-parameter optimization approaches, random search (RS) and Bayesian tree-structured Parzen Estimator (TPE), are applied in XGBoost. The effect of different FS and hyper-parameter optimization methods on the model performance are investigated by the Wilcoxon Signed Rank Test. The performance of XGBoost is compared to the traditionally utilized logistic regression (LR) model in terms of classification accuracy, area under the curve (AUC), recall, and F1 score obtained from the 10-fold cross validation. Results show that hierarchical clustering is the optimal FS method for LR while weight by Chi-square achieves the best performance in XG-Boost. Both TPE and RS optimization in XGBoost outperform LR significantly. TPE optimization shows a superiority over RS since it results in a significantly higher accuracy and a marginally higher AUC, recall and F1 score. Furthermore, XGBoost with TPE tuning shows a lower variability than the RS method. Finally, the ranking of feature importance based on XGBoost enhances the model interpretation. Therefore, XGBoost with Bayesian TPE hyper-parameter optimization serves as an operative while powerful approach for business risk modeling.

As part of autonomous car driving systems, semantic segmentation is an essential component to obtain a full understanding of the car's environment. One difficulty, that occurs while training neural networks for this purpose, is class imbalance of training data. Consequently, a neural network trained on unbalanced data in combination with maximum a-posteriori classification may easily ignore classes that are rare in terms of their frequency in the dataset. However, these classes are often of highest interest. We approach such potential misclassifications by weighting the posterior class probabilities with the prior class probabilities which in our case are the inverse frequencies of the corresponding classes in the training dataset. More precisely, we adopt a localized method by computing the priors pixel-wise such that the impact can be analyzed at pixel level as well. In our experiments, we train one network from scratch using a proprietary dataset containing 20,000 annotated frames of video sequences recorded from street scenes. The evaluation on our test set shows an increase of average recall with regard to instances of pedestrians and info signs by $25\%$ and $23.4\%$, respectively. In addition, we significantly reduce the non-detection rate for instances of the same classes by $61\%$ and $38\%$.

We study the problem of sparsity constrained $M$-estimation with arbitrary corruptions to both {\em explanatory and response} variables in the high-dimensional regime, where the number of variables $d$ is larger than the sample size $n$. Our main contribution is a highly efficient gradient-based optimization algorithm that we call Trimmed Hard Thresholding -- a robust variant of Iterative Hard Thresholding (IHT) by using trimmed mean in gradient computations. Our algorithm can deal with a wide class of sparsity constrained $M$-estimation problems, and we can tolerate a nearly dimension independent fraction of arbitrarily corrupted samples. More specifically, when the corrupted fraction satisfies $\epsilon \lesssim {1} /\left({\sqrt{k} \log (nd)}\right)$, where $k$ is the sparsity of the parameter, we obtain accurate estimation and model selection guarantees with optimal sample complexity. Furthermore, we extend our algorithm to sparse Gaussian graphical model (precision matrix) estimation via a neighborhood selection approach. We demonstrate the effectiveness of robust estimation in sparse linear, logistic regression, and sparse precision matrix estimation on synthetic and real-world US equities data.

Ensuring that classifiers are non-discriminatory or fair with respect to a sensitive feature (e.g., race or gender) is a topical problem. Progress in this task requires fixing a definition of fairness, and there have been several proposals in this regard over the past few years. Several of these, however, assume either binary sensitive features (thus precluding categorical or real-valued sensitive groups), or result in non-convex objectives (thus adversely affecting the optimisation landscape). In this paper, we propose a new definition of fairness that generalises some existing proposals, while allowing for generic sensitive features and resulting in a convex objective. The key idea is to enforce that the expected losses (or risks) across each subgroup induced by the sensitive feature are commensurate. We show how this relates to the rich literature on risk measures from mathematical finance. As a special case, this leads to a new convex fairness-aware objective based on minimising the conditional value at risk (CVaR).

Developers have to collect thousands of voice samples and annotate them by hand, a process that often takes weeks. That's why researchers at Amazon's Alexa division pursued transfer learning, which leverages a neural network -- i.e., layers of mathematical functions that mimic neurons in the brain -- trained on a large dataset of previously annotated samples to bootstrap training in a new domain with sparse data. In a newly published paper ("Unsupervised Transfer Learning for Spoken Language Understanding in Intelligent Agents"), Alexa AI scientists describe a technique that taps millions of unannotated interactions with Amazon's voice assistant to reduce errors by 8 percent. They'll present the fruit of their labor at the Association for the Advancement of Artificial Intelligence (AAAI) in Honolulu, Hawaii later this year. These interactions were used to train an AI system to generate embeddings -- numerical representations of words -- such that words with similar functions were grouped closely together.