Machine Learning (ML) algorithms are vulnerable to poisoning attacks, where a fraction of the training data can be manipulated to deliberately degrade the algorithms' performance. Optimal poisoning attacks, which can be formulated as bilevel optimisation problems, help to assess the robustness of learning algorithms in worst-case scenarios. However, current attacks against algorithms with hyperparameters typically assume that these hyperparameters are constant and thus ignore the effect the attack has on them. In this paper, we show that this approach leads to an overly pessimistic view of the robustness of the learning algorithms tested. We propose a novel optimal attack formulation that considers the effect of the attack on the hyperparameters by modelling the attack as a multiobjective bilevel optimisation problem. We apply this novel attack formulation to ML classifiers using $L_2$ regularisation and show that, in contrast to results previously reported in the literature, $L_2$ regularisation enhances the stability of the learning algorithms and helps to partially mitigate poisoning attacks. Our empirical evaluation on different datasets confirms the limitations of previous poisoning attack strategies, evidences the benefits of using $L_2$ regularisation to dampen the effect of poisoning attacks and shows that the regularisation hyperparameter increases as more malicious data points are injected in the training dataset.

Machine learning algorithms typically perform optimization over a class of non-convex functions. In this work, we provide bounds on the fundamental hardness of identifying the global minimizer of a non convex function. Specifically, we design a family of parametrized non-convex functions and employ statistical lower bounds for parameter estimation. We show that the parameter estimation problem is equivalent to the problem of function identification in the given family. We then claim that non convex optimization is at least as hard as function identification. Jointly, we prove that any first order method can take exponential time to converge to a global minimizer.

Recent works have shown that most deep learning models are often poorly calibrated, i.e., they may produce overconfident predictions that are wrong. It is therefore desirable to have models that produce predictive uncertainty estimates that are reliable. Several approaches have been proposed recently to calibrate classification models. However, there is relatively little work on calibrating regression models. We present a method for calibrating regression models based on a novel quantile regularizer defined as the cumulative KL divergence between two CDFs. Unlike most of the existing approaches for calibrating regression models, which are based on post-hoc processing of the model's output and require an additional dataset, our method is trainable in an end-to-end fashion without requiring an additional dataset. The proposed regularizer can be used with any training objective for regression. We also show that post-hoc calibration methods like Isotonic Calibration sometimes compound miscalibration whereas our method provides consistently better calibrations. We provide empirical results demonstrating that the proposed quantile regularizer significantly improves calibration for regression models trained using approaches, such as Dropout VI and Deep Ensembles.

Recently, non-stationary spectral kernels have drawn much attention, owing to its powerful feature representation ability in revealing long-range correlations and input-dependent characteristics. However, non-stationary spectral kernels are still shallow models, thus they are deficient to learn both hierarchical features and local interdependence. In this paper, to obtain hierarchical and local knowledge, we build an interpretable convolutional spectral kernel network (\texttt{CSKN}) based on the inverse Fourier transform, where we introduce deep architectures and convolutional filters into non-stationary spectral kernel representations. Moreover, based on Rademacher complexity, we derive the generalization error bounds and introduce two regularizers to improve the performance. Combining the regularizers and recent advancements on random initialization, we finally complete the learning framework of \texttt{CSKN}. Extensive experiments results on real-world datasets validate the effectiveness of the learning framework and coincide with our theoretical findings.

Classical approaches for one-class problems such as one-class SVM (Scholkopf et al., 1999) and isolation forest (Liu et al., 2008) require careful feature engineering when applied to structured domains like images. To alleviate this concern, state-of-the-art methods like DeepSVDD (Ruff et al., 2018) consider the natural alternative of minimizing a classical one-class loss applied to the learned final layer representations. However, such an approach suffers from the fundamental drawback that a representation that simply collapses all the inputs minimizes the one class loss; heuristics to mitigate collapsed representations provide limited benefits. In this work, we propose Deep Robust One Class Classification (DROCC) method that is robust to such a collapse by training the network to distinguish the training points from their perturbations, generated adversarially. DROCC is motivated by the assumption that the interesting class lies on a locally linear low dimensional manifold. Empirical evaluation demonstrates DROCC's effectiveness on two different one-class problem settings and on a range of real-world datasets across different domains - images(CIFAR and ImageNet), audio and timeseries, offering up to 20% increase in accuracy over the state-of-the-art in anomaly detection.

We propose a method for estimation in high-dimensional linear models with nominal categorical data. Our estimator, called SCOPE, fuses levels together by making their corresponding coefficients exactly equal. This is achieved using the minimax concave penalty on differences between the order statistics of the coefficients for a categorical variable, thereby clustering the coefficients. We provide an algorithm for exact and efficient computation of the global minimum of the resulting nonconvex objective in the case with a single variable with potentially many levels, and use this within a block coordinate descent procedure in the multivariate case. We show that an oracle least squares solution that exploits the unknown level fusions is a limit point of the coordinate descent with high probability, provided the true levels have a certain minimum separation; these conditions are known to be minimal in the univariate case. We demonstrate the favourable performance of SCOPE across a range of real and simulated datasets. An R package CatReg implementing SCOPE for linear models and also a version for logistic regression is available on CRAN.

Accurate and reliable prediction of wind speed is a challenging task, because it depends on meteorological features of the surrounding region. In this work a novel Deep Ensemble Learning using Jet-like Architecture (DEL-Jet) approach is proposed. The proposed (DEL-Jet) technique is tested on wind speed prediction problem. As wind speed data is of the time series nature, so two Convolutional Neural Networks (CNNs) in addition to a deep Auto-Encoder (AE) are used to extract the feature space from input data. Whereas, Non-linear Principal Component Analysis (NLPCA) is employed to further reduce the dimensionality of extracted feature space. Finally, reduced feature space along with original feature space are used to train the meta-regressor for forecasting final wind speed. To show the effectiveness of work, performance of the proposed DEL-Jet technique is evaluated for ten independent runs and compared against commonly used regressors.

Visualizing high-dimensional data is an essential task in Data Science and Machine Learning. The Centroid-Encoder (CE) method is similar to the autoencoder but incorporates label information to keep objects of a class close together in the reduced visualization space. CE exploits nonlinearity and labels to encode high variance in low dimensions while capturing the global structure of the data. We present a detailed analysis of the method using a wide variety of data sets and compare it with other supervised dimension reduction techniques, including NCA, nonlinear NCA, t-distributed NCA, t-distributed MCML, supervised UMAP, supervised PCA, Colored Maximum Variance Unfolding, supervised Isomap, Parametric Embedding, supervised Neighbor Retrieval Visualizer, and Multiple Relational Embedding. We empirically show that centroid-encoder outperforms most of these techniques. We also show that when the data variance is spread across multiple modalities, centroid-encoder extracts a significant amount of information from the data in low dimensional space. This key feature establishes its value to use it as a tool for data visualization.

Unsupervised domain adaptation is effective in leveraging the rich information from the source domain to the unsupervised target domain. Though deep learning and adversarial strategy make an important breakthrough in the adaptability of features, there are two issues to be further explored. First, the hard-assigned pseudo labels on the target domain are risky to the intrinsic data structure. Second, the batch-wise training manner in deep learning limits the description of the global structure. In this paper, a Riemannian manifold learning framework is proposed to achieve transferability and discriminability consistently. As to the first problem, this method establishes a probabilistic discriminant criterion on the target domain via soft labels. Further, this criterion is extended to a global approximation scheme for the second issue; such approximation is also memory-saving. The manifold metric alignment is exploited to be compatible with the embedding space. A theoretical error bound is derived to facilitate the alignment. Extensive experiments have been conducted to investigate the proposal and results of the comparison study manifest the superiority of consistent manifold learning framework.

Answering complex logical queries on large-scale incomplete knowledge graphs (KGs) is a fundamental yet challenging task. Recently, a promising approach to this problem has been to embed KG entities as well as the query into a vector space such that entities that answer the query are embedded close to the query. However, prior work models queries as single points in the vector space, which is problematic because a complex query represents a potentially large set of its answer entities, but it is unclear how such a set can be represented as a single point. Furthermore, prior work can only handle queries that use conjunctions ($\wedge$) and existential quantifiers ($\exists$). Handling queries with logical disjunctions ($\vee$) remains an open problem. Here we propose query2box, an embedding-based framework for reasoning over arbitrary queries with $\wedge$, $\vee$, and $\exists$ operators in massive and incomplete KGs. Our main insight is that queries can be embedded as boxes (i.e., hyper-rectangles), where a set of points inside the box corresponds to a set of answer entities of the query. We show that conjunctions can be naturally represented as intersections of boxes and also prove a negative result that handling disjunctions would require embedding with dimension proportional to the number of KG entities. However, we show that by transforming queries into a Disjunctive Normal Form, query2box is capable of handling arbitrary logical queries with $\wedge$, $\vee$, $\exists$ in a scalable manner. We demonstrate the effectiveness of query2box on three large KGs and show that query2box achieves up to 25% relative improvement over the state of the art.