Intrusion detection systems (IDSs) are essential elements of IT systems. Their key component is a classification module that continuously evaluates some features of the network traffic and identifies possible threats. Its efficiency is greatly affected by the right selection of the features to be monitored. Therefore, the identification of a minimal set of features that are necessary to safely distinguish malicious traffic from benign traffic is indispensable in the course of the development of an IDS. This paper presents the preprocessing and feature selection workflow as well as its results in the case of the CSE-CIC-IDS2018 on AWS dataset, focusing on five attack types. To identify the relevant features, six feature selection methods were applied, and the final ranking of the features was elaborated based on their average score. Next, several subsets of the features were formed based on different ranking threshold values, and each subset was tried with five classification algorithms to determine the optimal feature set for each attack type. During the evaluation, four widely used metrics were taken into consideration.

In the era of data-driven science, machine learning has emerged as a transformative tool, offering unprecedented solutions to complex problems across a wide range of scientific and technological domains. Specifically, machine learning has found applications in diverse fields such as biology, medicine, material science, engineering, energy, manufacturing, and agriculture. Notable examples include rapid detection of SARS-CoV-2 Ikponmwoba et al. [2022], advances in drug discovery and development Talevi et al. [2020], quality control and defect detection Wang et al. [2022], climate modeling and prediction Krasnopolsky and Fox-Rabinovitz [2006], as well as crop yield forecasting and optimization Di et al. [2022]. Some of these applications involve classification, which involves learning based on categorical data. In this regard, machine learning techniques, such as Support Vector Machines, Naive Bayes, K-nearest neighbor, and Neural Networks, have been used to extract texture features from images for subsequent classification Chola et al. [2022a,b]. Additionally, machine learning has facilitated the identification of high-order closure terms from fully kinetic simulations, a critical aspect of multi-scale modelingLaperre et al. [2022]. On the other hand, function approximation or regression involves estimating a continuous target quantity as a function of a set of input variables. Methods such as Sparse Identification of Nonlinear Dynamics (SINDy) Brunton et al. [2016], the Least Absolute Shrinkage and Selection Operator (LASSO) Tibshirani [1996], Dynamic Mode Decomposition (DMD) Schmid [2010], Mezić [2005], Koopman operator Mezić [2013] and the Eigensystem Realization Algorithm (ERA) Juang and Pappa [1985] have contributed significantly to understanding complex systems by offering effective strategies for model selection, variable regularization, decomposition of high-dimensional systems, and extraction of state-space models from input-output data.

Predictive student models are increasingly used in learning environments due to their ability to enhance educational outcomes and support stakeholders in making informed decisions. However, predictive models can be biased and produce unfair outcomes, leading to potential discrimination against some students and possible harmful long-term implications. This has prompted research on fairness metrics meant to capture and quantify such biases. Nonetheless, so far, existing fairness metrics used in education are predictive performance-oriented, focusing on assessing biased outcomes across groups of students, without considering the behaviors of the models nor the severity of the biases in the outcomes. Therefore, we propose a novel metric, the Model Absolute Density Distance (MADD), to analyze models' discriminatory behaviors independently from their predictive performance. We also provide a complementary visualization-based analysis to enable fine-grained human assessment of how the models discriminate between groups of students. We evaluate our approach on the common task of predicting student success in online courses, using several common predictive classification models on an open educational dataset. We also compare our metric to the only predictive performance-oriented fairness metric developed in education, ABROCA. Results on this dataset show that: (1) fair predictive performance does not guarantee fair models' behaviors and thus fair outcomes, (2) there is no direct relationship between data bias and predictive performance bias nor discriminatory behaviors bias, and (3) trained on the same data, models exhibit different discriminatory behaviors, according to different sensitive features too. We thus recommend using the MADD on models that show satisfying predictive performance, to gain a finer-grained understanding on how they behave and to refine models selection and their usage.

In high dimensional variable selection problems, statisticians often seek to design multiple testing procedures that control the False Discovery Rate (FDR), while concurrently identifying a greater number of relevant variables. Model-X methods, such as Knockoffs and conditional randomization tests, achieve the primary goal of finite-sample FDR control, assuming a known distribution of covariates. However, whether these methods can also achieve the secondary goal of maximizing discoveries remains uncertain. In fact, designing procedures to discover more relevant variables with finite-sample FDR control is a largely open question, even within the arguably simplest linear models. In this paper, we develop near-optimal multiple testing procedures for high dimensional Bayesian linear models with isotropic covariates. We introduce Model-X procedures that provably control the frequentist FDR from finite samples, even when the model is misspecified, and conjecturally achieve near-optimal power when the data follow the Bayesian linear model. Our proposed procedure, PoEdCe, incorporates three key ingredients: Posterior Expectation, distilled Conditional randomization test (dCRT), and the Benjamini-Hochberg procedure with e-values (eBH). The optimality conjecture of PoEdCe is based on a heuristic calculation of its asymptotic true positive proportion (TPP) and false discovery proportion (FDP), which is supported by methods from statistical physics as well as extensive numerical simulations. Our result establishes the Bayesian linear model as a benchmark for comparing the power of various multiple testing procedures.

The use of Machine Learning (ML) has rapidly spread across several fields, having encountered many applications in Structural Dynamics and Vibroacoustic (SD\&V). The increasing capabilities of ML to unveil insights from data, driven by unprecedented data availability, algorithms advances and computational power, enhance decision making, uncertainty handling, patterns recognition and real-time assessments. Three main applications in SD\&V have taken advantage of these benefits. In Structural Health Monitoring, ML detection and prognosis lead to safe operation and optimized maintenance schedules. System identification and control design are leveraged by ML techniques in Active Noise Control and Active Vibration Control. Finally, the so-called ML-based surrogate models provide fast alternatives to costly simulations, enabling robust and optimized product design. Despite the many works in the area, they have not been reviewed and analyzed. Therefore, to keep track and understand this ongoing integration of fields, this paper presents a survey of ML applications in SD\&V analyses, shedding light on the current state of implementation and emerging opportunities. The main methodologies, advantages, limitations, and recommendations based on scientific knowledge were identified for each of the three applications. Moreover, the paper considers the role of Digital Twins and Physics Guided ML to overcome current challenges and power future research progress. As a result, the survey provides a broad overview of the present landscape of ML applied in SD\&V and guides the reader to an advanced understanding of progress and prospects in the field.

Zeolites are inorganic materials known for their diversity of applications, synthesis conditions, and resulting polymorphs. Although their synthesis is controlled both by inorganic and organic synthesis conditions, computational studies of zeolite synthesis have focused mostly on organic template design. In this work, we use a strong distance metric between crystal structures and machine learning (ML) to create inorganic synthesis maps in zeolites. Starting with 253 known zeolites, we show how the continuous distances between frameworks reproduce inorganic synthesis conditions from the literature without using labels such as building units. An unsupervised learning analysis shows that neighboring zeolites according to our metric often share similar inorganic synthesis conditions, even in template-based routes. In combination with ML classifiers, we find synthesis-structure relationships for 14 common inorganic conditions in zeolites, namely Al, B, Be, Ca, Co, F, Ga, Ge, K, Mg, Na, P, Si, and Zn. By explaining the model predictions, we demonstrate how (dis)similarities towards known structures can be used as features for the synthesis space. Finally, we show how these methods can be used to predict inorganic synthesis conditions for unrealized frameworks in hypothetical databases and interpret the outcomes by extracting local structural patterns from zeolites. In combination with template design, this work can accelerate the exploration of the space of synthesis conditions for zeolites.

Background: Mental illness can lead to adverse outcomes such as homelessness and police interaction and understanding of the events leading up to these adverse outcomes is important. Predictive models may help identify individuals at risk of such adverse outcomes. Using a fixed observation window cohort with logistic regression (LR) or machine learning (ML) models can result in lower performance when compared with adaptive and parcellated windows. Method: An administrative healthcare dataset was used, comprising of 240,219 individuals in Calgary, Alberta, Canada who were diagnosed with addiction or mental health (AMH) between April 1, 2013, and March 31, 2018. The cohort was followed for 2 years to identify factors associated with homelessness and police interactions. To understand the benefit of flexible windows to predictive models, an alternative cohort was created. Then LR and ML models, including random forests (RF), and extreme gradient boosting (XGBoost) were compared in the two cohorts. Results: Among 237,602 individuals, 0.8% (1,800) experienced first homelessness, while 0.32% (759) reported initial police interaction among 237,141 individuals. Male sex (AORs: H=1.51, P=2.52), substance disorder (AORs: H=3.70, P=2.83), psychiatrist visits (AORs: H=1.44, P=1.49), and drug abuse (AORs: H=2.67, P=1.83) were associated with initial homelessness (H) and police interaction (P). XGBoost showed superior performance using the flexible method (sensitivity =91%, AUC =90% for initial homelessness, and sensitivity =90%, AUC=89% for initial police interaction) Conclusion: This study identified key features associated with initial homelessness and police interaction and demonstrated that flexible windows can improve predictive modeling.

Breast cancer is a leading cause of cancer-related deaths, but current programs are expensive and prone to false positives, leading to unnecessary follow-up and patient anxiety. This paper proposes a solution to automated breast cancer detection, to improve the efficiency and accuracy of screening programs. Different methodologies were tested against the RSNA dataset of radiographic breast images of roughly 20,000 female patients and yielded an average validation case pF1 score of 0.56 across methods.

The prediction of spin magnitudes in binary black hole and neutron star mergers is crucial for understanding the astrophysical processes and gravitational wave (GW) signals emitted during these cataclysmic events. In this paper, we present a novel Neuro-Symbolic Architecture (NSA) that combines the power of neural networks and symbolic regression to accurately predict spin magnitudes of black hole and neutron star mergers. Our approach utilizes GW waveform data obtained from numerical relativity simulations in the SXS Waveform catalog. By combining these two approaches, we leverage the strengths of both paradigms, enabling a comprehensive and accurate prediction of spin magnitudes. Our experiments demonstrate that the proposed architecture achieves an impressive root-mean-squared-error (RMSE) of 0.05 and mean-squared-error (MSE) of 0.03 for the NSA model and an RMSE of 0.12 for the symbolic regression model alone. We train this model to handle higher-order multipole waveforms, with a specific focus on eccentric candidates, which are known to exhibit unique characteristics. Our results provide a robust and interpretable framework for predicting spin magnitudes in mergers. This has implications for understanding the astrophysical properties of black holes and deciphering the physics underlying the GW signals.

The practice of code reuse is crucial in software development for a faster and more efficient development lifecycle. In reality, however, code reuse practices lack proper control, resulting in issues such as vulnerability propagation and intellectual property infringements. Assembly clone search, a critical shift-right defence mechanism, has been effective in identifying vulnerable code resulting from reuse in released executables. Recent studies on assembly clone search demonstrate a trend towards using machine learning-based methods to match assembly code variants produced by different toolchains. However, these methods are limited to what they learn from a small number of toolchain variants used in training, rendering them inapplicable to unseen architectures and their corresponding compilation toolchain variants. This paper presents the first study on the problem of assembly clone search with unseen architectures and libraries. We propose incorporating human common knowledge through large-scale pre-trained natural language models, in the form of transfer learning, into current learning-based approaches for assembly clone search. Transfer learning can aid in addressing the limitations of the existing approaches, as it can bring in broader knowledge from human experts in assembly code. We further address the sequence limit issue by proposing a reinforcement learning agent to remove unnecessary and redundant tokens. Coupled with a new Variational Information Bottleneck learning strategy, the proposed system minimizes the reliance on potential indicators of architectures and optimization settings, for a better generalization of unseen architectures. We simulate the unseen architecture clone search scenarios and the experimental results show the effectiveness of the proposed approach against the state-of-the-art solutions.