Participants: This study employed a combination of Vector Autoregression (VAR) model and Graph Neural Networks (GNN) to systematically construct dynamic causal inference. Multiple classic classification algorithms were compared, including Random Forest, Logistic Regression, XGBoost, Support Vector Machine (SVM), K-Nearest Neighbor (KNN), Gradient Boosting, and Multi Layer Perceptron (MLP). The SMOTE algorithm was used to undersample a small number of samples and employed Stratified K-fold Cross Validation. Results: This study included a total of 11,789 participants, including 6,334 females (53.73%) and 5,455 males (46.27%), with an average age of 65 years. Introduction of dynamic causal inference features has significantly improved the performance of almost all models. The area under the ROC curve of each model ranged from 0.78 to 0.83, indicating significant difference (P < 0.01). Among all the models, the Gradient Boosting model demonstrated the highest performance and stability. Model explanation and feature importance analysis generated model interpretation that illustrated significant contributors associated with risks of stroke. Conclusions and Relevance: This study proposes a stroke risk prediction method that combines dynamic causal inference with machine learning models, significantly improving prediction accuracy and revealing key health factors that affect stroke. The research results indicate that dynamic causal inference features have important value in predicting stroke risk, especially in capturing the impact of changes in health status over time on stroke risk. By further optimizing the model and introducing more variables, this study provides theoretical basis and practical guidance for future stroke prevention and intervention strategies.

Machine learning in materials science faces challenges due to limited experimental data, as generating synthesis data is costly and time-consuming, especially with in-house experiments. Mining data from existing literature introduces issues like mixed data quality, inconsistent formats, and variations in reporting experimental parameters, complicating the creation of consistent features for the learning algorithm. Additionally, combining continuous and discrete features can hinder the learning process with limited data. Here, we propose strategies that utilize large language models (LLMs) to enhance machine learning performance on a limited, heterogeneous dataset of graphene chemical vapor deposition synthesis compiled from existing literature. These strategies include prompting modalities for imputing missing data points and leveraging large language model embeddings to encode the complex nomenclature of substrates reported in chemical vapor deposition experiments. The proposed strategies enhance graphene layer classification using a support vector machine (SVM) model, increasing binary classification accuracy from 39% to 65% and ternary accuracy from 52% to 72%. We compare the performance of the SVM and a GPT-4 model, both trained and fine-tuned on the same data. Our results demonstrate that the numerical classifier, when combined with LLM-driven data enhancements, outperforms the standalone LLM predictor, highlighting that in data-scarce scenarios, improving predictive learning with LLM strategies requires more than simple fine-tuning on datasets. Instead, it necessitates sophisticated approaches for data imputation and feature space homogenization to achieve optimal performance. The proposed strategies emphasize data enhancement techniques, offering a broadly applicable framework for improving machine learning performance on scarce, inhomogeneous datasets.

Massive datasets, characterized by both large sample sizes and high-dimensional features, are increasingly prevalent across diverse fields. For example, the 1000 Genomes Project Consortium et al. (2015) study amassed genomic data from 2,504 individuals spanning 26 populations, yielding approximately 12 terabytes data. Often, such datasets are distributed across multiple locations. Fusing data together for centralized statistical analysis is somehow infeasible due to concerns over data privacy, memory and storage limitations, and bandwidth constraints. The absence of fusion centers has thus fueled interest in decentralized distributed learning--a paradigm that fully exploits distributed datasets by performing computations locally. This methodology has found successful applications in fields such as personalized medicine, edge computing, smart utilities, and dimension reduction (Li et al., 2011). A fundamental task in these applications is classification. Penalized support vector machines (SVMs) have been enduringly powerful tools for high-dimensional classification tasks, building on the seminal contributions of Boser et al. (1992) and Vapnik (2000). The standard objective function for penalized SVMs combines the hinge loss with a penalty term.

In this paper we present the statistical analysis of data from inexpensive sensors. We also present the performance of machine learning algorithms when used for automatic calibration such sensors. In this we have used low-cost Non-Dispersive Infrared CO$_2$ sensor placed at a co-located site at Cape Point, South Africa (maintained by Weather South Africa). The collected low-cost sensor data and site truth data are investigated and compared. We compare and investigate the performance of Random Forest Regression, Support Vector Regression, 1D Convolutional Neural Network and 1D-CNN Long Short-Term Memory Network models as a method for automatic calibration and the statistical properties of these model predictions. In addition, we also investigate the drift in performance of these algorithms with time.

In this paper, we describe the design of an inexpensive and agile climate sensor system which can be repurposed easily to measure various pollutants. We also propose the use of machine learning regression methods to calibrate CO2 data from this cost-effective sensing platform to a reference sensor at the South African Weather Service's Cape Point measurement facility. We show the performance of these methods and found that Random Forest Regression was the best in this scenario. This shows that these machine learning methods can be used to improve the performance of cost-effective sensor platforms and possibly extend the time between manual calibration of sensor networks.

In the rapidly advancing field of materials informatics, nonlinear machine learning models have demonstrated exceptional predictive capabilities for material properties. However, their black-box nature limits interpretability, and they may incorporate features that do not contribute to--or even deteriorate--model performance. This study employs explainable ML (XML) techniques, including permutation feature importance and the SHapley Additive exPlanation, applied to a pristine support vector regression model designed to predict band gaps at the GW level using 18 input features. Guided by XML-derived individual feature importance, a simple framework is proposed to construct reduced-feature predictive models. Model evaluations indicate that an XML-guided compact model, consisting of the top five features, achieves comparable accuracy to the pristine model on in-domain datasets while demonstrating superior generalization with lower prediction errors on out-of-domain data. Additionally, the study underscores the necessity for eliminating strongly correlated features to prevent misinterpretation and overestimation of feature importance before applying XML. This study highlights XML's effectiveness in developing simplified yet highly accurate machine learning models by clarifying feature roles.

Reactor physics is the study of neutron properties, focusing on using models to examine the interactions between neutrons and materials in nuclear reactors. Artificial intelligence (AI) has made significant contributions to reactor physics, e.g., in operational simulations, safety design, real-time monitoring, core management and maintenance. This paper presents a comprehensive review of AI approaches in reactor physics, especially considering the category of Machine Learning (ML), with the aim of describing the application scenarios, frontier topics, unsolved challenges and future research directions. From equation solving and state parameter prediction to nuclear industry applications, this paper provides a step-by-step overview of ML methods applied to steady-state, transient and combustion problems. Most literature works achieve industry-demanded models by enhancing the efficiency of deterministic methods or correcting uncertainty methods, which leads to successful applications. However, research on ML methods in reactor physics is somewhat fragmented, and the ability to generalize models needs to be strengthened. Progress is still possible, especially in addressing theoretical challenges and enhancing industrial applications such as building surrogate models and digital twins.

We study non-linear bandit optimization where the learner maximizes a black-box function with zeroth order function oracle, which has been successfully applied in many critical applications such as drug discovery and hyperparameter tuning. Existing works have showed that with the aid of quantum computing, it is possible to break the $\Omega(\sqrt{T})$ regret lower bound in classical settings and achieve the new $O(\mathrm{poly}\log T)$ upper bound. However, they usually assume that the objective function sits within the reproducing kernel Hilbert space and their algorithms suffer from the curse of dimensionality. In this paper, we propose the new Q-NLB-UCB algorithm which uses the novel parametric function approximation technique and enjoys performance improvement due to quantum fast-forward and quantum Monte Carlo mean estimation. We prove that the regret bound of Q-NLB-UCB is not only $O(\mathrm{poly}\log T)$ but also input dimension-free, making it applicable for high-dimensional tasks. At the heart of our analyses are a new quantum regression oracle and a careful construction of parameter uncertainty region. Our algorithm is also validated for its efficiency on both synthetic and real-world tasks.

We extend the existing work on Hopfield network state classification, employing more complex models that remain interpretable, such as densely-connected feed-forward deep neural networks and support vector machines. The states of the Hopfield network can be grouped into several classes, including learned (those presented during training), spurious (stable states that were not learned), and prototype (stable states that were not learned but are representative for a subset of learned states). It is often useful to determine to what class a given state belongs to; for example to ignore spurious states when retrieving from the network. Previous research has approached the state classification task with simple linear methods, most notably the stability ratio. We deepen the research on classifying states from prototype-regime Hopfield networks, investigating how varying the factors strengthening prototypes influences the state classification task. We study the generalizability of different classification models when trained on states derived from different prototype tasks -- for example, can a network trained on a Hopfield network with 10 prototypes classify states from a network with 20 prototypes? We find that simple models often outperform the stability ratio while remaining interpretable. These models require surprisingly little training data and generalize exceptionally well to states generated by a range of Hopfield networks, even those that were trained on exceedingly different datasets.

The aim of this paper is to investigate an attempt to build a binary classification algorithm using principles of geometry such as vectors, planes, and vector algebra. The basic idea behind the proposed algorithm is that a hyperplane can be used to completely separate a given set of data points mapped to n dimensional space, if the given data points are linearly separable in the n dimensions. Since points are the foundational elements of any geometrical construct, by manipulating the position of points used for the construction of a given hyperplane, the position of the hyperplane itself can be manipulated. The paper includes testing data against other classifiers on a variety of standard machine learning datasets. With a focus on support vector machines, since they and our proposed classifier use the same geometrical construct of hyperplane, and the versatility of SVMs make them a good bench mark for comparison. Since the algorithm focuses on moving the points through the hyperspace to which the dataset has been mapped, it has been dubbed as moving points algorithm.