Quantum Machine Learning (QML) has emerged as a promising field of research, aiming to leverage the capabilities of quantum computing to enhance existing machine learning methodologies. Recent studies have revealed that, like their classical counterparts, QML models based on Parametrized Quantum Circuits (PQCs) are also vulnerable to adversarial attacks. Moreover, the existence of Universal Adversarial Perturbations (UAPs) in the quantum domain has been demonstrated theoretically in the context of quantum classifiers. In this work, we introduce QuGAP: a novel framework for generating UAPs for quantum classifiers. We conceptualize the notion of additive UAPs for PQC-based classifiers and theoretically demonstrate their existence. We then utilize generative models (QuGAP-A) to craft additive UAPs and experimentally show that quantum classifiers are susceptible to such attacks. Moreover, we formulate a new method for generating unitary UAPs (QuGAP-U) using quantum generative models and a novel loss function based on fidelity constraints. We evaluate the performance of the proposed framework and show that our method achieves state-of-the-art misclassification rates, while maintaining high fidelity between legitimate and adversarial samples.

In this paper, we present "Graph Feature Preprocessor", a software library for detecting typical money laundering and fraud patterns in financial transaction graphs in real time. These patterns are used to produce a rich set of transaction features for downstream machine learning training and inference tasks such as money laundering detection. We show that our enriched transaction features dramatically improve the prediction accuracy of gradient-boosting-based machine learning models. Our library exploits multicore parallelism, maintains a dynamic in-memory graph, and efficiently mines subgraph patterns in the incoming transaction stream, which enables it to be operated in a streaming manner. We evaluate our library using highly-imbalanced synthetic anti-money laundering (AML) and real-life Ethereum phishing datasets. In these datasets, the proportion of illicit transactions is very small, which makes the learning process challenging. Our solution, which combines our Graph Feature Preprocessor and gradient-boosting-based machine learning models, is able to detect these illicit transactions with higher minority-class F1 scores than standard graph neural networks. In addition, the end-to-end throughput rate of our solution executed on a multicore CPU outperforms the graph neural network baselines executed on a powerful V100 GPU. Overall, the combination of high accuracy, a high throughput rate, and low latency of our solution demonstrates the practical value of our library in real-world applications. Graph Feature Preprocessor has been integrated into IBM mainframe software products, namely "IBM Cloud Pak for Data on Z" and "AI Toolkit for IBM Z and LinuxONE".

Foundation models have recently expanded into robotics after excelling in computer vision and natural language processing. The models are accessible in two ways: open-source or paid, closed-source options. Users with access to both face a problem when deciding between effective yet costly closed-source models and free but less powerful open-source alternatives. We call it the model selection problem. Existing supervised-learning methods are impractical due to the high cost of collecting extensive training data from closed-source models. Hence, we focus on the online learning setting where algorithms learn while collecting data, eliminating the need for large pre-collected datasets. We thus formulate a user-centric online model selection problem and propose a novel solution that combines an open-source encoder to output context and an online learning algorithm that processes this context. The encoder distills vast data distributions into low-dimensional features, i.e., the context, without additional training. The online learning algorithm aims to maximize a composite reward that includes model performance, execution time, and costs based on the context extracted from the data. It results in an improved trade-off between selecting open-source and closed-source models compared to non-contextual methods, as validated by our theoretical analysis. Experiments across language-based robotic tasks such as Waymo Open Dataset, ALFRED, and Open X-Embodiment demonstrate real-world applications of the solution. The results show that the solution significantly improves the task success rate by up to 14%.

This study is based on the Alzheimer's Disease Neuroimaging Initiative (ADNI) dataset and aims to explore early detection and disease progression in Alzheimer's disease (AD). We employ innovative data preprocessing strategies, including the use of the random forest algorithm to fill missing data and the handling of outliers and invalid data, thereby fully mining and utilizing these limited data resources. Through Spearman correlation coefficient analysis, we identify some features strongly correlated with AD diagnosis. We build and test three machine learning models using these features: random forest, XGBoost, and support vector machine (SVM). Among them, the XGBoost model performs the best in terms of diagnostic performance, achieving an accuracy of 91%. Overall, this study successfully overcomes the challenge of missing data and provides valuable insights into early detection of Alzheimer's disease, demonstrating its unique research value and practical significance.

Bayesian optimization is a methodology to optimize black-box functions. Traditionally, it focuses on the setting where you can arbitrarily query the search space. However, many real-life problems do not offer this flexibility; in particular, the search space of the next query may depend on previous ones. Example challenges arise in the physical sciences in the form of local movement constraints, required monotonicity in certain variables, and transitions influencing the accuracy of measurements. Altogether, such transition constraints necessitate a form of planning. This work extends Bayesian optimization via the framework of Markov Decision Processes, iteratively solving a tractable linearization of our objective using reinforcement learning to obtain a policy that plans ahead over long horizons. The resulting policy is potentially history-dependent and non-Markovian. We showcase applications in chemical reactor optimization, informative path planning, machine calibration, and other synthetic examples.

In this paper, we propose a class of non-parametric classifiers, that learn arbitrary boundaries and generalize well. Our approach is based on a novel way to regularize 1NN classifiers using a greedy approach. We refer to this class of classifiers as Watershed Classifiers. 1NN classifiers are known to trivially over-fit but have very large VC dimension, hence do not generalize well. We show that watershed classifiers can find arbitrary boundaries on any dense enough dataset, and, at the same time, have very small VC dimension; hence a watershed classifier leads to good generalization. Traditional approaches to regularize 1NN classifiers are to consider $K$ nearest neighbours. Neighbourhood component analysis (NCA) proposes a way to learn representations consistent with ($n-1$) nearest neighbour classifier, where $n$ denotes the size of the dataset. In this article, we propose a loss function which can learn representations consistent with watershed classifiers, and show that it outperforms the NCA baseline.

In the era of widespread social networks, the rapid dissemination of fake news has emerged as a significant threat, inflicting detrimental consequences across various dimensions of people's lives. Machine learning and deep learning approaches have been extensively employed for identifying fake news. However, a significant challenge in identifying fake news is the limited availability of labeled news datasets. Therefore, the One-Class Learning (OCL) approach, utilizing only a small set of labeled data from the interest class, can be a suitable approach to address this challenge. On the other hand, representing data as a graph enables access to diverse content and structural information, and label propagation methods on graphs can be effective in predicting node labels. In this paper, we adopt a graph-based model for data representation and introduce a semi-supervised and one-class approach for fake news detection, called LOSS-GAT. Initially, we employ a two-step label propagation algorithm, utilizing Graph Neural Networks (GNNs) as an initial classifier to categorize news into two groups: interest (fake) and non-interest (real). Subsequently, we enhance the graph structure using structural augmentation techniques. Ultimately, we predict the final labels for all unlabeled data using a GNN that induces randomness within the local neighborhood of nodes through the aggregation function. We evaluate our proposed method on five common datasets and compare the results against a set of baseline models, including both OCL and binary labeled models. The results demonstrate that LOSS-GAT achieves a notable improvement, surpassing 10%, with the advantage of utilizing only a limited set of labeled fake news. Noteworthy, LOSS-GAT even outperforms binary labeled models.

An algorithm effects a causal representation of relations between features and labels in the human's perception. Such a representation might conflict with the human's prior belief. Explanations can direct the human's attention to the conflicting feature and away from other relevant features. This leads to causal overattribution and may adversely affect the human's information processing. In a field experiment we implemented an XGBoost-trained model as a decision-making aid for counselors at a public employment service to predict candidates' risk of long-term unemployment. The treatment group of counselors was also provided with SHAP. The results show that the quality of the human's decision-making is worse when a feature on which the human holds a conflicting prior belief is displayed as part of the explanation.

Multi-step forecasting (MSF) in time-series, the ability to make predictions multiple time steps into the future, is fundamental to almost all temporal domains. To make such forecasts, one must assume the recursive complexity of the temporal dynamics. Such assumptions are referred to as the forecasting strategy used to train a predictive model. Previous work shows that it is not clear which forecasting strategy is optimal a priori to evaluating on unseen data. Furthermore, current approaches to MSF use a single (fixed) forecasting strategy. In this paper, we characterise the instance-level variance of optimal forecasting strategies and propose Dynamic Strategies (DyStrat) for MSF. We experiment using 10 datasets from different scales, domains, and lengths of multi-step horizons. When using a random-forest-based classifier, DyStrat outperforms the best fixed strategy, which is not knowable a priori, 94% of the time, with an average reduction in mean-squared error of 11%. Our approach typically triples the top-1 accuracy compared to current approaches. Notably, we show DyStrat generalises well for any MSF task.

Continual learning is the sequential learning of different tasks by a machine learning model. Continual learning is known to be hindered by catastrophic interference or forgetting, i.e. rapid unlearning of earlier learned tasks when new tasks are learned. Despite their practical success, artificial neural networks (ANNs) are prone to catastrophic interference. This study analyses how gradient descent and overlapping representations between distant input points lead to distal interference and catastrophic interference. Distal interference refers to the phenomenon where training a model on a subset of the domain leads to non-local changes on other subsets of the domain. This study shows that uniformly trainable models without distal interference must be exponentially large. A novel antisymmetric bounded exponential layer B-spline ANN architecture named ABEL-Spline is proposed that can approximate any continuous function, is uniformly trainable, has polynomial computational complexity, and provides some guarantees for distal interference. Experiments are presented to demonstrate the theoretical properties of ABEL-Splines. ABEL-Splines are also evaluated on benchmark regression problems. It is concluded that the weaker distal interference guarantees in ABEL-Splines are insufficient for model-only continual learning. It is conjectured that continual learning with polynomial complexity models requires augmentation of the training data or algorithm.