We consider the problem of global optimization with noisy zeroth order oracles - a well-motivated problem useful for various applications ranging from hyper-parameter tuning for deep learning to new material design. Existing work relies on Gaussian processes or other non-parametric family, which suffers from the curse of dimensionality. In this paper, we propose a new algorithm GO-UCB that leverages a parametric family of functions (e.g., neural networks) instead. Under a realizable assumption and a few other mild geometric conditions, we show that GO-UCB achieves a cumulative regret of \~O$(\sqrt{T})$ where $T$ is the time horizon. At the core of GO-UCB is a carefully designed uncertainty set over parameters based on gradients that allows optimistic exploration. Synthetic and real-world experiments illustrate GO-UCB works better than popular Bayesian optimization approaches, even if the model is misspecified.

In the context of digital twins, structural health monitoring (SHM) constitutes the backbone of condition-based maintenance, facilitating the interconnection between virtual and physical assets. Guided wave propagation (GWP) is commonly employed for the inspection of structures in SHM. However, GWP is sensitive to variations in the material properties of the structure, leading to false alarms. In this direction, uncertainty quantification (UQ) is regularly applied to improve the reliability of predictions. Computational mechanics is a useful tool for the simulation of GWP, and is often applied for UQ. Even so, the application of UQ methods requires numerous simulations, while large-scale, transient numerical GWP solutions increase the computational cost. Reduced order models (ROMs) are commonly employed to provide numerical results in a limited amount of time. In this paper, we propose a machine learning (ML)-based ROM, mentioned as BO-ML-ROM, to decrease the computational time related to the simulation of the GWP. The ROM is integrated with a Bayesian optimization (BO) framework, to adaptively sample the parameters for the ROM training. The finite element method is used for the simulation of the high-fidelity models. The formulated ROM is used for forward UQ of the GWP in an aluminum plate with varying material properties. To determine the influence of each parameter perturbation, a global, variance-based sensitivity analysis is implemented based on Sobol' indices. It is shown that Bayesian optimization outperforms one-shot sampling methods, both in terms of accuracy and speed-up. The predicted results reveal the efficiency of BO-ML-ROM for GWP and demonstrate its value for UQ.

In the ongoing quest for hybridizing discrete reasoning with neural nets, there is an increasing interest in neural architectures that can learn how to solve discrete reasoning or optimization problems from natural inputs. In this paper, we introduce a scalable neural architecture and loss function dedicated to learning the constraints and criteria of NP-hard reasoning problems expressed as discrete Graphical Models. Our loss function solves one of the main limitations of Besag's pseudo-loglikelihood, enabling learning of high energies. We empirically show it is able to efficiently learn how to solve NP-hard reasoning problems from natural inputs as the symbolic, visual or many-solutions Sudoku problems as well as the energy optimization formulation of the protein design problem, providing data efficiency, interpretability, and \textit{a posteriori} control over predictions.

In many industrial applications, obtaining labeled observations is not straightforward as it often requires the intervention of human experts or the use of expensive testing equipment. In these circumstances, active learning can be highly beneficial in suggesting the most informative data points to be used when fitting a model. Reducing the number of observations needed for model development alleviates both the computational burden required for training and the operational expenses related to labeling. Online active learning, in particular, is useful in high-volume production processes where the decision about the acquisition of the label for a data point needs to be taken within an extremely short time frame. However, despite the recent efforts to develop online active learning strategies, the behavior of these methods in the presence of outliers has not been thoroughly examined. In this work, we investigate the performance of online active linear regression in contaminated data streams. Our study shows that the currently available query strategies are prone to sample outliers, whose inclusion in the training set eventually degrades the predictive performance of the models. To address this issue, we propose a solution that bounds the search area of a conditional D-optimal algorithm and uses a robust estimator. Our approach strikes a balance between exploring unseen regions of the input space and protecting against outliers. Through numerical simulations, we show that the proposed method is effective in improving the performance of online active learning in the presence of outliers, thus expanding the potential applications of this powerful tool.

This document provides a comprehensive guide to hyperparameter tuning using spotPython for scikit-learn, PyTorch, and river. The first part introduces spotPython's surrogate model-based optimization process, while the second part focuses on hyperparameter tuning. Several case studies are presented, including hyperparameter tuning for sklearn models such as Support Vector Classification, Random Forests, Gradient Boosting (XGB), and K-nearest neighbors (KNN), as well as a Hoeffding Adaptive Tree Regressor from river. The integration of spotPython into the PyTorch and PyTorch Lightning training workflow is also discussed. With a hands-on approach and step-by-step explanations, this cookbook serves as a practical starting point for anyone interested in hyperparameter tuning with Python. Highlights include the interplay between Tensorboard, PyTorch Lightning, spotPython, and river. This publication is under development, with updates available on the corresponding webpage.

The Electron-Ion Collider (EIC), a state-of-the-art facility for studying the strong force, is expected to begin commissioning its first experiments in 2028. This is an opportune time for artificial intelligence (AI) to be included from the start at this facility and in all phases that lead up to the experiments. The second annual workshop organized by the AI4EIC working group, which recently took place, centered on exploring all current and prospective application areas of AI for the EIC. This workshop is not only beneficial for the EIC, but also provides valuable insights for the newly established ePIC collaboration at EIC. This paper summarizes the different activities and R&D projects covered across the sessions of the workshop and provides an overview of the goals, approaches and strategies regarding AI/ML in the EIC community, as well as cutting-edge techniques currently studied in other experiments.

A curriculum is a planned sequence of learning materials and an effective one can make learning efficient and effective for both humans and machines. Recent studies developed effective data-driven curriculum learning approaches for training graph neural networks in language applications. However, existing curriculum learning approaches often employ a single criterion of difficulty in their training paradigms. In this paper, we propose a new perspective on curriculum learning by introducing a novel approach that builds on graph complexity formalisms (as difficulty criteria) and model competence during training. The model consists of a scheduling scheme which derives effective curricula by accounting for different views of sample difficulty and model competence during training. The proposed solution advances existing research in curriculum learning for graph neural networks with the ability to incorporate a fine-grained spectrum of graph difficulty criteria in their training paradigms. Experimental results on real-world link prediction and node classification tasks illustrate the effectiveness of the proposed approach.

The recent release of very large language models such as PaLM and GPT-4 has made an unprecedented impact in the popular media and public consciousness, giving rise to a mixture of excitement and fear as to their capabilities and potential uses, and shining a light on natural language processing research which had not previously received so much attention. The developments offer great promise for education technology, and in this paper we look specifically at the potential for incorporating large language models in AI-driven language teaching and assessment systems. We consider several research areas - content creation and calibration, assessment and feedback - and also discuss the risks and ethical considerations surrounding generative AI in education technology for language learners. Overall we find that larger language models offer improvements over previous models in text generation, opening up routes toward content generation which had not previously been plausible. For text generation they must be prompted carefully and their outputs may need to be reshaped before they are ready for use. For automated grading and grammatical error correction, tasks whose progress is checked on well-known benchmarks, early investigations indicate that large language models on their own do not improve on state-of-the-art results according to standard evaluation metrics. For grading it appears that linguistic features established in the literature should still be used for best performance, and for error correction it may be that the models can offer alternative feedback styles which are not measured sensitively with existing methods. In all cases, there is work to be done to experiment with the inclusion of large language models in education technology for language learners, in order to properly understand and report on their capacities and limitations, and to ensure that foreseeable risks such as misinformation and harmful bias are mitigated.

The collection of security-related logs holds the key to understanding attack behaviors and diagnosing vulnerabilities. Still, their analysis remains a daunting challenge. Recently, Language Models (LMs) have demonstrated unmatched potential in understanding natural and programming languages. The question arises whether and how LMs could be also useful for security experts since their logs contain intrinsically confused and obfuscated information. In this paper, we systematically study how to benefit from the state-of-the-art in LM to automatically analyze text-like Unix shell attack logs. We present a thorough design methodology that leads to LogPr\'ecis. It receives as input raw shell sessions and automatically identifies and assigns the attacker tactic to each portion of the session, i.e., unveiling the sequence of the attacker's goals. We demonstrate LogPr\'ecis capability to support the analysis of two large datasets containing about 400,000 unique Unix shell attacks. LogPr\'ecis reduces them into about 3,000 fingerprints, each grouping sessions with the same sequence of tactics. The abstraction it provides lets the analyst better understand attacks, identify fingerprints, detect novelty, link similar attacks, and track families and mutations. Overall, LogPr\'ecis, released as open source, paves the way for better and more responsive defense against cyberattacks.

Multiple-choice questions with item-writing flaws can negatively impact student learning and skew analytics. These flaws are often present in student-generated questions, making it difficult to assess their quality and suitability for classroom usage. Existing methods for evaluating multiple-choice questions often focus on machine readability metrics, without considering their intended use within course materials and their pedagogical implications. In this study, we compared the performance of a rule-based method we developed to a machine-learning based method utilizing GPT-4 for the task of automatically assessing multiple-choice questions based on 19 common item-writing flaws. By analyzing 200 student-generated questions from four different subject areas, we found that the rule-based method correctly detected 91% of the flaws identified by human annotators, as compared to 79% by GPT-4. We demonstrated the effectiveness of the two methods in identifying common item-writing flaws present in the student-generated questions across different subject areas. The rule-based method can accurately and efficiently evaluate multiple-choice questions from multiple domains, outperforming GPT-4 and going beyond existing metrics that do not account for the educational use of such questions. Finally, we discuss the potential for using these automated methods to improve the quality of questions based on the identified flaws.