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.

We introduce the Deep Learning Vulnerability Analyzer (DLVA) for Ethereum smart contracts based on neural networks. We train DLVA to judge bytecode even though the supervising oracle can only judge source. DLVA's training algorithm is general: we extend a source code analysis to bytecode without any manual feature engineering, predefined patterns, or expert rules. DLVA's training algorithm is also robust: it overcame a 1.25% error rate mislabeled contracts, and--the student surpassing the teacher--found vulnerable contracts that Slither mislabeled. DLVA is much faster than other smart contract vulnerability detectors: DLVA checks contracts for 29 vulnerabilities in 0.2 seconds, a 10-1,000x speedup. DLVA has three key components. First, Smart Contract to Vector (SC2V) uses neural networks to map smart contract bytecode to a high-dimensional floating-point vector. We benchmark SC2V against 4 state-of-the-art graph neural networks and show that it improves model differentiation by 2.2%. Second, Sibling Detector (SD) classifies contracts when a target contract's vector is Euclidian-close to a labeled contract's vector in a training set; although only able to judge 55.7% of the contracts in our test set, it has a Slither-predictive accuracy of 97.4% with a false positive rate of only 0.1%. Third, Core Classifier (CC) uses neural networks to infer vulnerable contracts regardless of vector distance. We benchmark DLVA's CC with 10 ML techniques and show that the CC improves accuracy by 11.3%. Overall, DLVA predicts Slither's labels with an overall accuracy of 92.7% and associated false positive rate of 7.2%. Lastly, we benchmark DLVA against nine well-known smart contract analysis tools. Despite using much less analysis time, DLVA completed every query, leading the pack with an average accuracy of 99.7%, pleasingly balancing high true positive rates with low false positive rates.

There has been a growing effort to replace hand extraction of data from research papers with automated data extraction based on natural language processing, language models, and recently, large language models (LLMs). Although these methods enable efficient extraction of data from large sets of research papers, they require a significant amount of up-front effort, expertise, and coding. In this work we propose the ChatExtract method that can fully automate very accurate data extraction with minimal initial effort and background, using an advanced conversational LLM. ChatExtract consists of a set of engineered prompts applied to a conversational LLM that both identify sentences with data, extract that data, and assure the data's correctness through a series of follow-up questions. These follow-up questions largely overcome known issues with LLMs providing factually inaccurate responses. ChatExtract can be applied with any conversational LLMs and yields very high quality data extraction. In tests on materials data we find precision and recall both close to 90% from the best conversational LLMs, like ChatGPT-4. We demonstrate that the exceptional performance is enabled by the information retention in a conversational model combined with purposeful redundancy and introducing uncertainty through follow-up prompts. These results suggest that approaches similar to ChatExtract, due to their simplicity, transferability, and accuracy are likely to become powerful tools for data extraction in the near future. Finally, databases for critical cooling rates of metallic glasses and yield strengths of high entropy alloys are developed using ChatExtract.