Graph neural networks (GNNs) have achieved great success in node classification tasks. However, existing GNNs naturally bias towards the majority classes with more labelled data and ignore those minority classes with relatively few labelled ones. The traditional techniques often resort over-sampling methods, but they may cause overfitting problem. More recently, some works propose to synthesize additional nodes for minority classes from the labelled nodes, however, there is no any guarantee if those generated nodes really stand for the corresponding minority classes. In fact, improperly synthesized nodes may result in insufficient generalization of the algorithm. To resolve the problem, in this paper we seek to automatically augment the minority classes from the massive unlabelled nodes of the graph. Specifically, we propose \textit{GraphSR}, a novel self-training strategy to augment the minority classes with significant diversity of unlabelled nodes, which is based on a Similarity-based selection module and a Reinforcement Learning(RL) selection module. The first module finds a subset of unlabelled nodes which are most similar to those labelled minority nodes, and the second one further determines the representative and reliable nodes from the subset via RL technique. Furthermore, the RL-based module can adaptively determine the sampling scale according to current training data. This strategy is general and can be easily combined with different GNNs models. Our experiments demonstrate the proposed approach outperforms the state-of-the-art baselines on various class-imbalanced datasets.

DDoS attacks involve overwhelming a target system with a large number of requests or traffic from multiple sources, disrupting the normal traffic of a targeted server, service, or network. Distinguishing between legitimate traffic and malicious traffic is a challenging task. It is possible to classify legitimate traffic and malicious traffic and analysis the network traffic by using machine learning and deep learning techniques. However, an inter-model explanation implemented to classify a traffic flow whether is benign or malicious is an important investigation of the inner working theory of the model to increase the trustworthiness of the model. Explainable Artificial Intelligence (XAI) can explain the decision-making of the machine learning models that can be classified and identify DDoS traffic. In this context, we proposed a framework that can not only classify legitimate traffic and malicious traffic of DDoS attacks but also use SHAP to explain the decision-making of the classifier model. To address this concern, we first adopt feature selection techniques to select the top 20 important features based on feature importance techniques (e.g., XGB-based SHAP feature importance). Following that, the Multi-layer Perceptron Network (MLP) part of our proposed model uses the optimized features of the DDoS attack dataset as inputs to classify legitimate and malicious traffic. We perform extensive experiments with all features and selected features. The evaluation results show that the model performance with selected features achieves above 99\% accuracy. Finally, to provide interpretability, XAI can be adopted to explain the model performance between the prediction results and features based on global and local explanations by SHAP, which can better explain the results achieved by our proposed framework.

We introduce a novel method for gravitational wave detection that combines: 1) hybrid dilated convolution neural networks to accurately model both short-and long-range temporal sequential information of gravitational wave signals; and 2) graph neural networks to capture spatial correlations among gravitational wave observatories to consistently describe and identify the presence of a signal in a detector network. These spatiotemporal-graph AI models are tested for signal detection of gravitational waves emitted by quasi-circular, non-spinning and quasi-circular, spinning, non-precessing binary black hole mergers. For the latter case, we needed a dataset of 1.2 million modeled waveforms to densely sample this signal manifold. Thus, we reduced time-to-solution by training several AI models in the Polaris supercomputer at the Argonne Leadership Supercomputing Facility within 1.7 hours by distributing the training over 256 NVIDIA A100 GPUs, achieving optimal classification performance. This approach also exhibits strong scaling up to 512 NVIDIA A100 GPUs. We then created ensembles of AI models to process data from a three detector network, namely, the advanced LIGO Hanford and Livingston detectors, and the advanced Virgo detector. An ensemble of 2 AI models achieves state-of-the-art performance for signal detection, and reports seven misclassifications per decade of searched data, whereas an ensemble of 4 AI models achieves optimal performance for signal detection with two misclassifications for every decade of searched data. Finally, when we distributed AI inference over 128 GPUs in the Polaris supercomputer and 128 nodes in the Theta supercomputer, our AI ensemble is capable of processing a decade of gravitational wave data from a three detector network within 3.5 hours, i.e., 2.5 10

Neutral atoms devices represent a promising technology that uses optical tweezers to geometrically arrange atoms and modulated laser pulses to control the quantum states. A neutral atoms Noisy Intermediate Scale Quantum (NISQ) device is developed by Pasqal with rubidium atoms that will allow to work with up to 100 qubits. All NISQ devices are affected by noise that have an impact on the computations results. Therefore it is important to better understand and characterize the noise sources and possibly to correct them. Here, two approaches are proposed to characterize and correct noise parameters on neutral atoms NISQ devices. In particular the focus is on Pasqal devices and Machine Learning (ML) techniques are adopted to pursue those objectives. To characterize the noise parameters, several ML models are trained, using as input only the measurements of the final quantum state of the atoms, to predict laser intensity fluctuation and waist, temperature and false positive and negative measurement rate. Moreover, an analysis is provided with the scaling on the number of atoms in the system and on the number of measurements used as input. Also, we compare on real data the values predicted with ML with the a priori estimated parameters. Finally, a Reinforcement Learning (RL) framework is employed to design a pulse in order to correct the effect of the noise in the measurements. It is expected that the analysis performed in this work will be useful for a better understanding of the quantum dynamic in neutral atoms devices and for the widespread adoption of this class of NISQ devices.

As the frontier of machine learning applications moves further into human interaction, multiple concerns arise regarding automated decision-making. Two of the most critical issues are fairness and data privacy. On the one hand, one must guarantee that automated decisions are not biased against certain groups, especially those unprotected or marginalized. On the other hand, one must ensure that the use of personal information fully abides by privacy regulations and that user identities are kept safe. The balance between privacy, fairness, and predictive performance is complex. However, despite their potential societal impact, we still demonstrate a poor understanding of the dynamics between these optimization vectors. In this paper, we study this three-way tension and how the optimization of each vector impacts others, aiming to inform the future development of safe applications. In light of claims that predictive performance and fairness can be jointly optimized, we find this is only possible at the expense of data privacy. Overall, experimental results show that one of the vectors will be penalized regardless of which of the three we optimize. Nonetheless, we find promising avenues for future work in joint optimization solutions, where smaller trade-offs are observed between the three vectors.

Research demonstrates learners engaging in the process of producing explanations to support their reasoning, can have a positive impact on learning. However, providing learners real-time explanatory feedback often presents challenges related to classification accuracy, particularly in domain-specific environments, containing situationally complex and nuanced responses. We present two approaches for supplying tutors real-time feedback within an online lesson on how to give students effective praise. This work-in-progress demonstrates considerable accuracy in binary classification for corrective feedback of effective, or effort-based (F1 score = 0.811), and ineffective, or outcome-based (F1 score = 0.350), praise responses. More notably, we introduce progress towards an enhanced approach of providing explanatory feedback using large language model-facilitated named entity recognition, which can provide tutors feedback, not only while engaging in lessons, but can potentially suggest real-time tutor moves. Future work involves leveraging large language models for data augmentation to improve accuracy, while also developing an explanatory feedback interface.

Bayesian and causal inference are fundamental processes for intelligence. Bayesian inference models observations: what can be inferred about y if we observe a related variable x? Causal inference models interventions: if we directly change x, how will y change? Predictive coding is a neuroscience-inspired method for performing Bayesian inference on continuous state variables using local information only. In this work, we go beyond Bayesian inference, and show how a simple change in the inference process of predictive coding enables interventional and counterfactual inference in scenarios where the causal graph is known. We then extend our results, and show how predictive coding can be generalized to cases where this graph is unknown, and has to be inferred from data, hence performing causal discovery. What results is a novel and straightforward technique that allows us to perform end-to-end causal inference on predictive-coding-based structural causal models, and demonstrate its utility for potential applications in machine learning.

Is there a statistical difference between Naive Bayes and Random Forest in terms of recall, f-measure, and precision for predicting software defects? By utilizing systematic literature review and meta-analysis, we are answering this question. We conducted a systematic literature review by establishing criteria to search and choose papers, resulting in five studies. After that, using the meta-data and forest-plots of five chosen papers, we conducted a meta-analysis to compare the two models. The results have shown that there is no significant statistical evidence that Naive Bayes perform differently from Random Forest in terms of recall, f-measure, and precision.

Node outlier detection in attributed graphs is a challenging problem for which there is no method that would work well across different datasets. Motivated by the state-of-the-art results of score-based models in graph generative modeling, we propose to incorporate them into the aforementioned problem. Our method achieves competitive results on small-scale graphs. We provide an empirical analysis of the Dirichlet energy, and show that generative models might struggle to accurately reconstruct it.

Automating warehouse operations can reduce logistics overhead costs, ultimately driving down the final price for consumers, increasing the speed of delivery, and enhancing the resiliency to workforce fluctuations. The past few years have seen increased interest in automating such repeated tasks but mostly in controlled settings. Tasks such as picking objects from unstructured, cluttered piles have only recently become robust enough for large-scale deployment with minimal human intervention. This paper demonstrates a large-scale package manipulation from unstructured piles in Amazon Robotics' Robot Induction (Robin) fleet, which utilizes a pick success predictor trained on real production data. Specifically, the system was trained on over 394K picks. It is used for singulating up to 5 million packages per day and has manipulated over 200 million packages during this paper's evaluation period. The developed learned pick quality measure ranks various pick alternatives in real-time and prioritizes the most promising ones for execution. The pick success predictor aims to estimate from prior experience the success probability of a desired pick by the deployed industrial robotic arms in cluttered scenes containing deformable and rigid objects with partially known properties. It is a shallow machine learning model, which allows us to evaluate which features are most important for the prediction. An online pick ranker leverages the learned success predictor to prioritize the most promising picks for the robotic arm, which are then assessed for collision avoidance. This learned ranking process is demonstrated to overcome the limitations and outperform the performance of manually engineered and heuristic alternatives. To the best of the authors' knowledge, this paper presents the first large-scale deployment of learned pick quality estimation methods in a real production system.