Adversarial data poisoning is an effective attack against machine learning and threatens model integrity by introducing poisoned data into the training dataset. So far, it has been studied mostly for classification, even though regression learning is used in many mission critical systems (such as dosage of medication, control of cyber-physical systems and managing power supply). Therefore, in the present research, we aim to evaluate all aspects of data poisoning attacks on regression learning, exceeding previous work both in terms of breadth and depth. We present realistic scenarios in which data poisoning attacks threaten production systems and introduce a novel black-box attack, which is then applied to a real-word medical use-case. As a result, we observe that the mean squared error (MSE) of the regressor increases to 150 percent due to inserting only two percent of poison samples. Finally, we present a new defense strategy against the novel and previous attacks and evaluate it thoroughly on 26 datasets. As a result of the conducted experiments, we conclude that the proposed defence strategy effectively mitigates the considered attacks.

Unsupervised (or self-supervised) graph representation learning is essential to facilitate various graph data mining tasks when external supervision is unavailable. The challenge is to encode the information about the graph structure and the attributes associated with the nodes and edges into a low dimensional space. Most existing unsupervised methods promote similar representations across nodes that are topologically close. Recently, it was shown that leveraging additional graph-level information, e.g., information that is shared among all nodes, encourages the representations to be mindful of the global properties of the graph, which greatly improves their quality. However, in most graphs, there is significantly more structure that can be captured, e.g., nodes tend to belong to (multiple) clusters that represent structurally similar nodes. Motivated by this observation, we propose a graph representation learning method called Graph InfoClust (GIC), that seeks to additionally capture cluster-level information content. These clusters are computed by a differentiable K-means method and are jointly optimized by maximizing the mutual information between nodes of the same clusters. This optimization leads the node representations to capture richer information and nodal interactions, which improves their quality. Experiments show that GIC outperforms state-of-art methods in various downstream tasks (node classification, link prediction, and node clustering) with a 0.9% to 6.1% gain over the best competing approach, on average.

Dynamical systems arise in a wide variety of mathematical models from science and engineering. A common challenge is to quantify uncertainties on model inputs (parameters) that correspond to a quantitative characterization of uncertainties on observable Quantities of Interest (QoI). To this end, we consider a stochastic inverse problem (SIP) with a solution described by a pullback probability measure. We call this an observation-consistent solution, as its subsequent push-forward through the QoI map matches the observed probability distribution on model outputs. A distinction is made between QoI useful for solving the SIP and arbitrary model output data. In dynamical systems, model output data are often given as a series of state variable responses recorded over a particular time window. Consequently, the dimension of output data can easily exceed $\mathcal{O}(1E4)$ or more due to the frequency of observations, and the correct choice or construction of a QoI from this data is not self-evident. We present a new framework, Learning Uncertain Quantities (LUQ), that facilitates the tractable solution of SIPs for dynamical systems. Given ensembles of predicted (simulated) time series and (noisy) observed data, LUQ provides routines for filtering data, unsupervised learning of the underlying dynamics, classifying observations, and feature extraction to learn the QoI map. Subsequently, time series data are transformed into samples of the underlying predicted and observed distributions associated with the QoI so that solutions to the SIP are computable. Following the introduction and demonstration of LUQ, numerical results from several SIPs are presented for a variety of dynamical systems arising in the life and physical sciences. For scientific reproducibility, we provide links to our Python implementation of LUQ and to all data and scripts required to reproduce the results in this manuscript.

This paper describes a $near$-$optimal$ stochastic first-order gradient method for decentralized finite-sum minimization of smooth non-convex functions. Specifically, we propose GT-SARAH that employs a local SARAH-type variance reduction and global gradient tracking to address the stochastic and decentralized nature of the problem. Considering a total number of $N$ cost functions, equally divided over a directed network of $n$ nodes, we show that GT-SARAH finds an $\epsilon$-accurate first-order stationary point in ${\mathcal{O}(N^{1/2}\epsilon^{-1})}$ gradient computations across all nodes, independent of the network topology, when ${n\leq\mathcal{O}(N^{1/2}(1-\lambda)^{3})}$, where ${(1-\lambda)}$ is the spectral gap of the network weight matrix. In this regime, GT-SARAH is thus, to the best our knowledge, the first decentralized method that achieves the algorithmic lower bound for this class of problems. Moreover, GT-SARAH achieves a $non$-$asymptotic$ $linear$ $speedup$, in that, the total number of gradient computations at each node is reduced by a factor of $1/n$ compared to the near-optimal algorithms for this problem class that process all data at a single node. We also establish the convergence rate of GT-SARAH in other regimes, in terms of the relative sizes of the number of nodes $n$, total number of functions $N$, and the network spectral gap $(1-\lambda)$. Over infinite time horizon, we establish the almost sure and mean-squared convergence of GT-SARAH to a first-order stationary point.

We present a new meta-learning approach for supervised anomaly classification / one-class classification using set equivariant networks. We focus our experiments on an astronomy application. Our problem setting is composed of a set of classification tasks. Each task has a (small) set of positive, labeled examples and a larger set of unlabeled examples. We expect the positive instances to be much more uncommon (i.e. 'anomalies') than the negative ones ('normal' class). We propose a novel use of equivariant networks for this setting. Specifically we use Deep Sets, which was developed for point-clouds and unordered sets and is equivariant to permutation. We propose to consider the set of positive examples of a given task as a 'point-cloud'. The key idea is that the network directly takes as input the set of positive examples in addition to the current example to classify. This allows the model to predict at test-time on new tasks using only positive labeled examples (i.e 'One-Class classification' setting) by design, potentially without retraining. However, the model is trained in a meta-learning regime on a dataset of several tasks with full-supervision (positive and negative labels). This setup is motivated by our target application on stellar streams. Streams are groups of stars sharing specific properties in various features. For a detected stream, we can determine a set of stars that likely belong to the stream. We aim to characterize the membership of all other nearby stars. We build a meta-dataset of simulated streams injected onto real data and evaluate on unseen synthetic streams and one known stream. Our experiments show encouraging results to explore furthermore equivariant networks for anomaly or 'one-class' classification in a meta-learning regime.

\textit{Attention} computes the dependency between representations, and it encourages the model to focus on the important selective features. Attention-based models, such as Transformers and graph attention networks (GAT) are widely utilized for sequential data and graph-structured data. This paper suggests a new interpretation and generalized structure of the attention in Transformer and GAT. For the attention in Transformer and GAT, we derive that the attention is a product of two parts: 1) the RBF kernel to measure the similarity of two instances and 2) the exponential of $L^{2}$ norm to compute the importance of individual instances. From this decomposition, we generalize the attention in three ways. First, we propose implicit kernel attention with an implicit kernel function, instead of manual kernel selection. Second, we generalize $L^{2}$ norm as the $L^{p}$ norm. Third, we extend our attention to structured multi-head attention. Our generalized attention shows better performance on classification, translation, and regression tasks.

Originated from distributed learning, federated learning enables privacy-preserved collaboration on a new abstracted level by sharing the model parameters only. While the current research mainly focuses on optimizing learning algorithms and minimizing communication overhead left by distributed learning, there is still a considerable gap when it comes to the real implementation on mobile devices. In this paper, we start with an empirical experiment to demonstrate computation heterogeneity is a more pronounced bottleneck than communication on the current generation of battery-powered mobile devices, and the existing methods are haunted by mobile stragglers. Further, non-identically distributed data across the mobile users makes the selection of participants critical to the accuracy and convergence. To tackle the computational and statistical heterogeneity, we utilize data as a tuning knob and propose two efficient polynomial-time algorithms to schedule different workloads on various mobile devices, when data is identically or non-identically distributed. For identically distributed data, we combine partitioning and linear bottleneck assignment to achieve near-optimal training time without accuracy loss. For non-identically distributed data, we convert it into an average cost minimization problem and propose a greedy algorithm to find a reasonable balance between computation time and accuracy. We also establish an offline profiler to quantify the runtime behavior of different devices, which serves as the input to the scheduling algorithms. We conduct extensive experiments on a mobile testbed with two datasets and up to 20 devices. Compared with the common benchmarks, the proposed algorithms achieve 2-100x speedup epoch-wise, 2-7% accuracy gain and boost the convergence rate by more than 100% on CIFAR10.

Gradient Boosting Machine (GBM) introduced by Friedman is a powerful supervised learning algorithm that is very widely used in practice---it routinely features as a leading algorithm in machine learning competitions such as Kaggle and the KDDCup. In spite of the usefulness of GBM in practice, our current theoretical understanding of this method is rather limited. In this work, we propose Randomized Gradient Boosting Machine (RGBM) which leads to substantial computational gains compared to GBM, by using a randomization scheme to reduce search in the space of weak-learners. We derive novel computational guarantees for RGBM. We also provide a principled guideline towards better step-size selection in RGBM that does not require a line search. Our proposed framework is inspired by a special variant of coordinate descent that combines the benefits of randomized coordinate descent and greedy coordinate descent; and may be of independent interest as an optimization algorithm. As a special case, our results for RGBM lead to superior computational guarantees for GBM. Our computational guarantees depend upon a curious geometric quantity that we call Minimal Cosine Angle, which relates to the density of weak-learners in the prediction space. On a series of numerical experiments on real datasets, we demonstrate the effectiveness of RGBM over GBM in terms of obtaining a model with good training and/or testing data fidelity with a fraction of the computational cost.

Hyperparameter optimization refers to performing a search in order to discover the set of specific model configuration arguments that result in the best performance of the model on a specific dataset. There are many ways to perform hyperparameter optimization, although modern methods, such as Bayesian Optimization, are fast and effective. The Scikit-Optimize library is an open-source Python library that provides an implementation of Bayesian Optimization that can be used to tune the hyperparameters of machine learning models from the scikit-Learn Python library. You can easily use the Scikit-Optimize library to tune the models on your next machine learning project. In this tutorial, you will discover how to use the Scikit-Optimize library to use Bayesian Optimization for hyperparameter tuning.

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