Large Language Models (LLMs) have revolutionized natural language processing through their state of art reasoning capabilities. This paper explores the convergence of LLM reasoning techniques and feature generation for machine learning tasks. We examine four key reasoning approaches: Chain of Thought, Tree of Thoughts, Retrieval-Augmented Generation, and Thought Space Exploration. Our analysis reveals how these approaches can be used to identify effective feature generation rules without having to manually specify search spaces. The paper categorizes LLM-based feature generation methods across various domains including finance, healthcare, and text analytics. LLMs can extract key information from clinical notes and radiology reports in healthcare, by enabling more efficient data utilization. In finance, LLMs facilitate text generation, summarization, and entity extraction from complex documents. We analyze evaluation methodologies for assessing feature quality and downstream performance, with particular attention to OCTree's decision tree reasoning approach that provides language-based feedback for iterative improvements. Current challenges include hallucination, computational efficiency, and domain adaptation. As of March 2025, emerging approaches include inference-time compute scaling, reinforcement learning, and supervised fine-tuning with model distillation. Future directions point toward multimodal feature generation, self-improving systems, and neuro-symbolic approaches. This paper provides a detailed overview of an emerging field that promises to automate and enhance feature engineering through language model reasoning.
NeuralFoil is an open-source Python-based tool for rapid aerodynamics analysis of airfoils, similar in purpose to XFoil. Speedups ranging from 8x to 1,000x over XFoil are demonstrated, after controlling for equivalent accuracy. NeuralFoil computes both global and local quantities (lift, drag, velocity distribution, etc.) over a broad input space, including: an 18-dimensional space of airfoil shapes, possibly including control deflections; a 360 degree range of angles of attack; Reynolds numbers from $10^2$ to $10^{10}$; subsonic flows up to the transonic drag rise; and with varying turbulence parameters. Results match those of XFoil closely: the mean relative error of drag is 0.37% on simple cases, and remains as low as 2.0% on a test dataset with numerous post-stall and transitional cases. NeuralFoil facilitates gradient-based design optimization, due to its $C^\infty$-continuous solutions, automatic-differentiation-compatibility, and bounded computational cost without non-convergence issues. NeuralFoil is a hybrid of physics-informed machine learning techniques and analytical models. Here, physics information includes symmetries that are structurally embedded into the model architecture, feature engineering using domain knowledge, and guaranteed extrapolation to known limit cases. This work also introduces a new approach for surrogate model uncertainty quantification that enables robust design optimization. This work discusses the methodology and performance of NeuralFoil with several case studies, including a practical airfoil design optimization study including both aerodynamic and non-aerodynamic constraints. Here, NeuralFoil optimization is able to produce airfoils nearly identical in performance and shape to expert-designed airfoils within seconds; these computationally-optimized airfoils provide a useful starting point for further expert refinement.
Large language models (LLMs) have revolutionized code generation, automating programming with remarkable efficiency. However, these advancements challenge programming skills, ethics, and assessment integrity, making the detection of LLM-generated code essential for maintaining accountability and standards. While, there has been some research on this problem, it generally lacks domain coverage and robustness, and only covers a small number of programming languages. To this end, we propose a framework capable of distinguishing between human- and LLM-written code across multiple programming languages, code generators, and domains. We use a large-scale dataset from renowned platforms and LLM-based code generators, alongside applying rigorous data quality checks, feature engineering, and comparative analysis using evaluation of traditional machine learning models, pre-trained language models (PLMs), and LLMs for code detection. We perform an evaluation on out-of-domain scenarios, such as detecting the authorship and hybrid authorship of generated code and generalizing to unseen models, domains, and programming languages. Moreover, our extensive experiments show that our framework effectively distinguishes human- from LLM-written code and sets a new benchmark for this task.
Automated feature engineering plays a critical role in improving predictive model performance for tabular learning tasks. Traditional automated feature engineering methods are limited by their reliance on pre-defined transformations within fixed, manually designed search spaces, often neglecting domain knowledge. Recent advances using Large Language Models (LLMs) have enabled the integration of domain knowledge into the feature engineering process. However, existing LLM-based approaches use direct prompting or rely solely on validation scores for feature selection, failing to leverage insights from prior feature discovery experiments or establish meaningful reasoning between feature generation and data-driven performance. To address these challenges, we propose LLM-FE, a novel framework that combines evolutionary search with the domain knowledge and reasoning capabilities of LLMs to automatically discover effective features for tabular learning tasks. LLM-FE formulates feature engineering as a program search problem, where LLMs propose new feature transformation programs iteratively, and data-driven feedback guides the search process. Our results demonstrate that LLM-FE consistently outperforms state-of-the-art baselines, significantly enhancing the performance of tabular prediction models across diverse classification and regression benchmarks.
With the emerging trend of GPT models, we have established a framework called AutoML-GPT that integrates a comprehensive set of tools and libraries. This framework grants users access to a wide range of data preprocessing techniques, feature engineering methods, and model selection algorithms. Through a conversational interface, users can specify their requirements, constraints, and evaluation metrics. Throughout the process, AutoML-GPT employs advanced techniques for hyperparameter optimization and model selection, ensuring that the resulting model achieves optimal performance. The system effectively manages the complexity of the machine learning pipeline, guiding users towards the best choices without requiring deep domain knowledge. Through our experimental results on diverse datasets, we have demonstrated that AutoML-GPT significantly reduces the time and effort required for machine learning tasks. Its ability to leverage the vast knowledge encoded in large language models enables it to provide valuable insights, identify potential pitfalls, and suggest effective solutions to common challenges faced during model training.
High-quality, error-free datasets are a key ingredient in building reliable, accurate, and unbiased machine learning (ML) models. However, real world datasets often suffer from errors due to sensor malfunctions, data entry mistakes, or improper data integration across multiple sources that can severely degrade model performance. Detecting and correcting these issues typically require tailor-made solutions and demand extensive domain expertise. Consequently, automation is challenging, rendering the process labor-intensive and tedious. In this study, we investigate whether Large Language Models (LLMs) can help alleviate the burden of manual data cleaning. We set up an experiment in which an LLM, paired with Python, is tasked with cleaning the training dataset to improve the performance of a learning algorithm without having the ability to modify the training pipeline or perform any feature engineering. We run this experiment on multiple Kaggle datasets that have been intentionally corrupted with errors. Our results show that LLMs can identify and correct erroneous entries, such as illogical values or outlier, by leveraging contextual information from other features within the same row, as well as feedback from previous iterations. However, they struggle to detect more complex errors that require understanding data distribution across multiple rows, such as trends and biases.
Texture recognition has recently been dominated by ImageNet-pre-trained deep Convolutional Neural Networks (CNNs), with specialized modifications and feature engineering required to achieve state-of-the-art (SOTA) performance. However, although Vision Transformers (ViTs) were introduced a few years ago, little is known about their texture recognition ability. Therefore, in this work, we introduce VORTEX (ViTs with Orderless and Randomized Token Encodings for Texture Recognition), a novel method that enables the effective use of ViTs for texture analysis. VORTEX extracts multi-depth token embeddings from pre-trained ViT backbones and employs a lightweight module to aggregate hierarchical features and perform orderless encoding, obtaining a better image representation for texture recognition tasks. This approach allows seamless integration with any ViT with the common transformer architecture. Moreover, no fine-tuning of the backbone is performed, since they are used only as frozen feature extractors, and the features are fed to a linear SVM. We evaluate VORTEX on nine diverse texture datasets, demonstrating its ability to achieve or surpass SOTA performance in a variety of texture analysis scenarios. By bridging the gap between texture recognition with CNNs and transformer-based architectures, VORTEX paves the way for adopting emerging transformer foundation models. Furthermore, VORTEX demonstrates robust computational efficiency when coupled with ViT backbones compared to CNNs with similar costs. The method implementation and experimental scripts are publicly available in our online repository.
Forensic Memory Analysis (FMA) and Virtual Machine Introspection (VMI) are critical tools for security in a virtualization-based approach. VMI and FMA involves using digital forensic methods to extract information from the system to identify and explain security incidents. A key challenge in both FMA and VMI is the "Semantic Gap", which is the difficulty of interpreting raw memory data without specialized tools and expertise. In this work, we investigate how a priori knowledge, metadata and engineered features can aid VMI and FMA, leveraging machine learning to automate information extraction and reduce the workload of forensic investigators. We choose OpenSSH as our use case to test different methods to extract high level structures. We also test our method on complete physical memory dumps to showcase the effectiveness of the engineered features. Our features range from basic statistical features to advanced graph-based representations using malloc headers and pointer translations. The training and testing are carried out on public datasets that we compare against already recognized baseline methods. We show that using metadata, we can improve the performance of the algorithm when there is very little training data and also quantify how having more data results in better generalization performance. The final contribution is an open dataset of physical memory dumps, totalling more than 1 TB of different memory state, software environments, main memory capacities and operating system versions. Our methods show that having more metadata boosts performance with all methods obtaining an F1-Score of over 80%. Our research underscores the possibility of using feature engineering and machine learning techniques to bridge the semantic gap.
In this study, we implement a Wasserstein GAN with Gradient Penalty (WGAN-GP) to generate multi-channel resting-state EEG data and assess the quality of the synthesized signals through both visual and feature-based evaluations. Our results indicate that the model effectively captures the statistical and spectral characteristics of real EEG data, although challenges remain in replicating high-frequency oscillations in the frontal region. Additionally, we demonstrate that the Critic's learned representations can be reused for gender classification task, achieving an out-of-sample accuracy, significantly better than a shuffled-label baseline and a model trained directly on EEG data. These findings suggest that generative models can serve not only as EEG data generators but also as unsupervised feature extractors, reducing the need for manual feature engineering. This study highlights the potential of GAN-based unsupervised learning for EEG analysis, suggesting avenues for more data-efficient deep learning applications in neuroscience.
Social media platforms provide valuable insights into mental health trends by capturing user-generated discussions on conditions such as depression, anxiety, and suicidal ideation. Machine learning (ML) and deep learning (DL) models have been increasingly applied to classify mental health conditions from textual data, but selecting the most effective model involves trade-offs in accuracy, interpretability, and computational efficiency. This study evaluates multiple ML models, including logistic regression, random forest, and LightGBM, alongside deep learning architectures such as ALBERT and Gated Recurrent Units (GRUs), for both binary and multi-class classification of mental health conditions. Our findings indicate that ML and DL models achieve comparable classification performance on medium-sized datasets, with ML models offering greater interpretability through variable importance scores, while DL models are more robust to complex linguistic patterns. Additionally, ML models require explicit feature engineering, whereas DL models learn hierarchical representations directly from text. Logistic regression provides the advantage of capturing both positive and negative associations between features and mental health conditions, whereas tree-based models prioritize decision-making power through split-based feature selection. This study offers empirical insights into the advantages and limitations of different modeling approaches and provides recommendations for selecting appropriate methods based on dataset size, interpretability needs, and computational constraints.
The multivariate, asynchronous nature of real-world clinical data, such as that generated in Intensive Care Units (ICUs), challenges traditional AI-based decision-support systems. These often assume data regularity and feature independence and frequently rely on limited data scopes and manual feature engineering. The potential of generative AI technologies has not yet been fully exploited to analyze clinical data. We introduce ICU-BERT, a transformer-based model pre-trained on the MIMIC-IV database using a multi-task scheme to learn robust representations of complex ICU data with minimal preprocessing. ICU-BERT employs a multi-token input strategy, incorporating dense embeddings from a biomedical Large Language Model to learn a generalizable representation of complex and multivariate ICU data. With an initial evaluation of five tasks and four additional ICU datasets, ICU-BERT results indicate that ICU-BERT either compares to or surpasses current performance benchmarks by leveraging fine-tuning. By integrating structured and unstructured data, ICU-BERT advances the use of foundational models in medical informatics, offering an adaptable solution for clinical decision support across diverse applications.
Tactile hand gesture recognition is a crucial task for user control in the automotive sector, where Human-Machine Interactions (HMI) demand low latency and high energy efficiency. This study addresses the challenges of power-constrained edge training and inference by utilizing analog Resistive Random Access Memory (ReRAM) technology in conjunction with a real tactile hand gesture dataset. By optimizing the input space through a feature engineering strategy, we avoid relying on large-scale crossbar arrays, making the system more suitable for edge deployment. Through realistic hardware-aware simulations that account for device non-idealities derived from experimental data, we demonstrate the functionalities of our analog ReRAM-based analog in-memory computing for on-chip training, utilizing the state-of-the-art Tiki-Taka algorithm. Furthermore, we validate the classification accuracy of approximately 91.4% for post-deployment inference of hand gestures. The results highlight the potential of analog ReRAM technology and crossbar architecture with fully parallelized matrix computations for real-time HMI systems at the Edge.
This paper presents a novel data-driven approach to mitigating employee attrition using machine learning and data engineering techniques. The proposed framework integrates data from various human resources systems and leverages advanced feature engineering to capture a comprehensive set of factors influencing attrition. The study outlines a robust modeling approach that addresses challenges such as imbalanced datasets, categorical data handling, and model interpretation. The methodology includes careful consideration of training and testing strategies, baseline model establishment, and the development of calibrated predictive models. The research emphasizes the importance of model interpretation using techniques like SHAP values to provide actionable insights for organizations. Key design choices in algorithm selection, hyperparameter tuning, and probability calibration are discussed. This approach enables organizations to proactively identify attrition risks and develop targeted retention strategies, ultimately redu
In the field of integrated circuit manufacturing, the detection and classification of nanoscale wafer defects are critical for subsequent root cause analysis and yield enhancement. The complex background patterns observed in scanning electron microscope (SEM) images and the diverse textures of the defects pose significant challenges. Traditional methods usually suffer from insufficient data, labels, and poor transferability. In this paper, we propose a novel few-shot learning approach, SEM-CLIP, for accurate defect classification and segmentation. SEM-CLIP customizes the Contrastive Language-Image Pretraining (CLIP) model to better focus on defect areas and minimize background distractions, thereby enhancing segmentation accuracy. We employ text prompts enriched with domain knowledge as prior information to assist in precise analysis. Additionally, our approach incorporates feature engineering with textual guidance to categorize defects more effectively. SEM-CLIP requires little annotated data, substantially reducing labor demands in the semiconductor industry. Extensive experimental validation demonstrates that our model achieves impressive classification and segmentation results under few-shot learning scenarios.
Medicare fraud poses a substantial challenge to healthcare systems, resulting in significant financial losses and undermining the quality of care provided to legitimate beneficiaries. This study investigates the use of machine learning (ML) to enhance Medicare fraud detection, addressing key challenges such as class imbalance, high-dimensional data, and evolving fraud patterns. A dataset comprising inpatient claims, outpatient claims, and beneficiary details was used to train and evaluate five ML models: Random Forest, KNN, LDA, Decision Tree, and AdaBoost. Data preprocessing techniques included resampling SMOTE method to address the class imbalance, feature selection for dimensionality reduction, and aggregation of diagnostic and procedural codes. Random Forest emerged as the best-performing model, achieving a training accuracy of 99.2% and validation accuracy of 98.8%, and F1-score (98.4%). The Decision Tree also performed well, achieving a validation accuracy of 96.3%. KNN and AdaBoost demonstrated moderate performance, with validation accuracies of 79.2% and 81.1%, respectively, while LDA struggled with a validation accuracy of 63.3% and a low recall of 16.6%. The results highlight the importance of advanced resampling techniques, feature engineering, and adaptive learning in detecting Medicare fraud effectively. This study underscores the potential of machine learning in addressing the complexities of fraud detection. Future work should explore explainable AI and hybrid models to improve interpretability and performance, ensuring scalable and reliable fraud detection systems that protect healthcare resources and beneficiaries.
Acute Coronary Syndromes (ACS), including ST-segment elevation myocardial infarctions (STEMI) and non-ST-segment elevation myocardial infarctions (NSTEMI), remain a leading cause of mortality worldwide. Traditional cardiovascular risk scores rely primarily on clinical data, often overlooking environmental influences like air pollution that significantly impact heart health. Moreover, integrating complex time-series environmental data with clinical records is challenging. We introduce TabulaTime, a multimodal deep learning framework that enhances ACS risk prediction by combining clinical risk factors with air pollution data. TabulaTime features three key innovations: First, it integrates time-series air pollution data with clinical tabular data to improve prediction accuracy. Second, its PatchRWKV module automatically extracts complex temporal patterns, overcoming limitations of traditional feature engineering while maintaining linear computational complexity. Third, attention mechanisms enhance interpretability by revealing interactions between clinical and environmental factors. Experimental results show that TabulaTime improves prediction accuracy by over 20% compared to conventional models such as CatBoost, Random Forest, and LightGBM, with air pollution data alone contributing over a 10% improvement. Feature importance analysis identifies critical predictors including previous angina, systolic blood pressure, PM10, and NO2. Overall, TabulaTime bridges clinical and environmental insights, supporting personalized prevention strategies and informing public health policies to mitigate ACS risk.
In tropical countries with high humidity, air conditioning can account for up to 60% of a building's energy use. For commercial buildings with centralized systems, the efficiency of the chiller plant is vital, and model predictive control provides an effective strategy for optimizing operations through dynamic adjustments based on accurate load predictions. Artificial neural networks are effective for modelling nonlinear systems but are prone to overfitting due to their complexity. Effective feature engineering can mitigate this issue. While weather data are crucial for load prediction, they are often used as raw numerical inputs without advanced processing. Clustering features is a technique that can reduce model complexity and enhance prediction accuracy. Although previous studies have explored clustering algorithms for load prediction, none have applied them to multidimensional weather data, revealing a research gap. This study presents a cooling load prediction model that combines a neural network with Kalman filtering and K-means clustering. Applied to real world data from a commercial skyscraper in Singapore's central business district, the model achieved a 46.5% improvement in prediction accuracy. An optimal chiller sequencing strategy was also developed through genetic algorithm optimization of the predictive load, potentially saving 13.8% in energy. Finally, the study evaluated the integration of thermal energy storage into the chiller plant design, demonstrating potential reductions in capital and operational costs of 26% and 13%, respectively.
As cyberattacks become increasingly sophisticated, advanced Network Intrusion Detection Systems (NIDS) are critical for modern network security. Traditional signature-based NIDS are inadequate against zero-day and evolving attacks. In response, machine learning (ML)-based NIDS have emerged as promising solutions; however, they are vulnerable to adversarial evasion attacks that subtly manipulate network traffic to bypass detection. To address this vulnerability, we propose a novel defensive framework that enhances the robustness of ML-based NIDS by simultaneously integrating adversarial training, dataset balancing techniques, advanced feature engineering, ensemble learning, and extensive model fine-tuning. We validate our framework using the NSL-KDD and UNSW-NB15 datasets. Experimental results show, on average, a 35% increase in detection accuracy and a 12.5% reduction in false positives compared to baseline models, particularly under adversarial conditions. The proposed defense against adversarial attacks significantly advances the practical deployment of robust ML-based NIDS in real-world networks.
The recent increase in morbidity is primarily due to chronic diseases including Diabetes, Heart disease, Lung cancer, and brain tumours. The results for patients can be improved, and the financial burden on the healthcare system can be lessened, through the early detection and prevention of certain disorders. In this study, we built a machine-learning model for predicting the existence of numerous diseases utilising datasets from various sources, including Kaggle, Dataworld, and the UCI repository, that are relevant to each of the diseases we intended to predict. Following the acquisition of the datasets, we used feature engineering to extract pertinent features from the information, after which the model was trained on a training set and improved using a validation set. A test set was then used to assess the correctness of the final model. We provide an easy-to-use interface where users may enter the parameters for the selected ailment. Once the right model has been run, it will indicate whether the user has a certain ailment and offer suggestions for how to treat or prevent it.
Graph Neural Architecture Search (GNAS) facilitates the automatic design of Graph Neural Networks (GNNs) tailored to specific downstream graph learning tasks. However, existing GNAS approaches often require manual adaptation to new graph search spaces, necessitating substantial code optimization and domain-specific knowledge. To address this challenge, we present LLM4GNAS, a toolkit for GNAS that leverages the generative capabilities of Large Language Models (LLMs). LLM4GNAS includes an algorithm library for graph neural architecture search algorithms based on LLMs, enabling the adaptation of GNAS methods to new search spaces through the modification of LLM prompts. This approach reduces the need for manual intervention in algorithm adaptation and code modification. The LLM4GNAS toolkit is extensible and robust, incorporating LLM-enhanced graph feature engineering, LLM-enhanced graph neural architecture search, and LLM-enhanced hyperparameter optimization. Experimental results indicate that LLM4GNAS outperforms existing GNAS methods on tasks involving both homogeneous and heterogeneous graphs.