Automated Feature Engineering

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5 papers in the last four weeks, against 1 the four weeks before. 0.0% of all new papers.

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Latest papers 31

Oct 4, 2026cs.CR

AutoDP-LLM: Automating Data Pre-processing for Intrusion Detection Systems using Large Language Models

The increasing complexity and scale of modern cyber-attacks demand intelligent and computationally efficient Intrusion Detection Systems (IDS). However, designing effective data pre-processing pipelines traditionally involves substantial trial-and-error effort and repeated evaluation of alternative configurations. For large, high-dimensional network traffic data, this process can create a significant computational burden. In this work, we propose AutoDP-LLM, an automated pre-processing framework designed to reduce manual pipeline development and computational overhead. Specifically, AutoDP-LLM leverages Large Language Models (LLMs) to autonomously generate and validate executable data pre-processing pipelines. The framework combines deterministic host-side planning with LLM-based specialist agents to formulate data-processing strategies, synthesize executable code, and adaptively determine retained feature sets using semantic reasoning and training-derived statistical evidence, without requiring a predefined feature budget. Focusing on multiclass intrusion detection, we evaluate AutoDP-LLM on the UNSW-NB15 and NSL-KDD benchmark datasets using multiple downstream classifiers. Comparative experiments against conventional feature-selection methods show that AutoDP-LLM achieves competitive detection performance while automating the generation of compact and executable pre-processing pipelines. Component-level ablation experiments further demonstrate the complementary contributions of the semantic and statistical feature-reduction components. The repeated generation, validation, execution, and assessment of candidate pipelines are amenable to parallel execution, highlighting the potential of scalable computing environments, including high-performance computing (HPC) systems, to support automated IDS pipeline development.

Bao-Phong Nguyen, Gia-Khanh Pham, Thai-Duong Do +7

Business AI Lab, College of Technology, National Economics University, Hanoi, Vietnam

Network Intrusion Detection LLMs for Cybersecurity Automated Feature Engineering

Sep 28, 2026cs.AI

Automated feature engineering, AutoML, and decision-focused learning for improved energy consumption forecasting

The rising cost and demand for energy, together with environmental sustainability goals, create major challenges for energy management. Energy Consumption Forecasting (ECF) supports planning by predicting future consumption, but Machine Learning (ML) models for ECF often depend on expert-driven Feature Engineering (FE). This thesis addresses that dependence through three contributions. First, it establishes and evaluates a comprehensive FE pipeline for ECF and investigates domain-specific features. Second, it introduces AutoEnergy, a domain-tailored automated FE algorithm that generates interpretable features from timestamps and lagged consumption and integrates with AutoML for end-to-end ECF modelling. Across eighteen real-world energy datasets spanning residential, commercial, industrial, renewable, and grid domains, AutoEnergy reduces forecasting error by 19.52%-84.72% relative to baseline AutoML and established automated FE methods, while running 1.31-4.41 times faster, with gains varying by dataset. Third, AutoEnergy is integrated with Decision-Focused Learning (DFL) for a Battery Energy Storage System problem, jointly forecasting electricity prices and demand while optimising charging and discharging decisions. On a real-world UK property dataset, this approach reduces operating costs by 22.9%-56.5% compared with the same DFL models without automated FE. Overall, the results show that domain-specific automated FE can reduce reliance on manual feature design, improve forecasting accuracy, and translate predictive gains into measurable operational benefits in energy management.

Nasser Alkhulaifi

School of Computer Science, Faculty of Science University of Nottingham

Automated Machine Learning Electricity Load Forecasting Automated Feature Engineering

Sep 14, 2026cs.LG

Knowledge-Enriched Structured EHR Features for 30-Day Hospital Readmission Prediction on MIMIC-IV

Recent approaches to 30-day hospital readmission prediction rely on pre-trained language models applied to discharge summaries. Although these methods achieve strong performance, they depend on the availability of clinical notes, incur substantial computational costs, and yield representations that lack interpretability. We propose a knowledge-enriched feature representation that augments structured Electronic Health Record (EHR) data with four medical knowledge sources: disease ontology mapping, procedure classification, drug ingredient vocabulary, and organ system laboratory aggregation, without using clinical notes. Each feature dimension corresponds to a named clinical concept, yielding a sparse and interpretable patient representation. The approach is evaluated with six classifiers on a MIMIC-IV v2.2 cohort. Under 20-fold cross-validation, the best configuration achieves an AUROC of 0.743. This performance is comparable to that of previously reported methods on this dataset, including both those using only structured data and those incorporating clinical notes, while requiring considerably less computational cost. Interpretability analysis shows that demographics, organ system labs, drug ingredient features, and first-level ontology disease categories drive prediction, while deeper hierarchy levels contribute negligibly. These findings indicate that knowledge-enriched structured features offer a competitive and efficient alternative to embeddings from clinical notes for 30-day readmission prediction.

Mohamad Najafi, Hongyun Fu, Mathias Brochhausen +2

Old Dominion University, Virginia, USA · University of Arkansas for Medical Sciences, Arkansas, USA

Clinical Outcome Prediction Electronic Health Records Automated Feature Engineering Clinical Risk Prediction

Sep 9, 2026cs.LG

Hierarchical and Permutation-Invariant Feature Transformation Learning via Policy-Guided Embedding Search

Feature transformation improves predictive performance on tabular data by constructing informative abstractions from raw features. Recent generative approaches encode transformation knowledge into continuous embedding spaces for efficient exploration of candidate strategies, but face three key limitations: (1) overlooking hierarchical relationships between low-level features, operations, and high-level abstractions; (2) enforcing order-sensitive embeddings on inherently permutation-invariant transformation sequences, thereby introducing systematic bias; and (3) relying on gradient-based search, which is ill-suited to non-convex transformation spaces. We propose a framework with two complementary components. First, a permutation-invariant hierarchical module captures interactions across features, operations, and abstraction levels, with a self-attention pooling mechanism that maps semantically equivalent structures to consistent embeddings aligned with downstream performance. Second, a policy-guided multi-objective reinforcement learning strategy initializes the search from empirically strong seeds and jointly optimizes predictive accuracy and transformation efficiency. Extensive experiments on diverse tabular benchmarks demonstrate the effectiveness and robustness of our framework against strong baselines. Our code and data are publicly available at: https://github.com/RayLiu1103/PHER.

Rui Liu, Tao Zhe, Yanyong Huang +5

University of Kansas Lawrence, United States · Southwest University of Finance and Economics Chengdu, China · University of Wisconsin–Madison Madison, United States +3

Representation Learning Hierarchical Representation Learning Permutation-Invariant Learning Automated Feature Engineering

Sep 8, 2026cs.LG

GraphFAS: A Distributed System for Automated Graph Feature Generation and Selection in Industrial Transaction Networks

Industrial fraud detection often relies on costly expert-crafted features that overlook graph-structured relational signals, while GNNs often do not meet the interpretability and deployment requirements of financial risk control. We propose GraphFAS (Graph Feature Automated Selection), a distributed feature selection procedure based on Boruta that bridges this gap through: (1) a non-parametric graph feature generation module that constructs explicit, interpretable structural features via multi-hop subgraph extraction and multi-scale aggregation without learned parameters; and (2) an automated distributed feature selection algorithm extending Boruta with median-based aggregation across partitions to robustly identify informative features at scale with minimal domain expertise. Compared with end-to-end GNN pipelines, GraphFAS decouples feature aggregation from model training, enabling direct integration with tabular models and direct compatibility with TreeSHAPbased explanations. Deployed in Alipay, GraphFAS delivers orderof-magnitude improvements in engineering efficiency while showing strong performance against expert-driven and graph-learning baselines on large-scale graphs.

Yice Luo, Yun Zhu, Xi Chen +7

Ant Group Hangzhou, China · Nanjing University Nanjing, China

Financial Fraud Detection Feature Selection Automated Feature Engineering

Aug 10, 2026cs.LG

Tabular Numeric Stretch Transformation

Tabular data presents unique challenges for deep learning due to its heterogeneous nature, where numeric features exhibit diverse distributions, scales, and statistical properties. Although recent advances have improved how models learn from tabular data, how numeric data are transformed into model-friendly representations remains comparatively underexplored. We introduce the stretch transformation framework, which formulates numeric feature preprocessing as an optimization problem to make the target function smoother and thus more learnable. Our framework has two variants: (1) unsupervised stretch, which uniformly redistributes feature density via minimax optimization, and (2) supervised stretch, which optimizes target-aware numeric feature transformations from the perspective of target-function smoothness by minimizing the target function's Dirichlet energy in the transformed space. Our theoretical analysis further connects this framework to several popular transformations: unsupervised stretch is closely related to Piecewise Linear Encoding through a shared piecewise-linear geometry and approaches the empirical CDF transformation as the number of bins grows, while supervised stretch becomes closely related to target encoding in the fine-binning limit. Comprehensive experiments on 38 datasets from the TALENT benchmark demonstrate that supervised stretch consistently outperforms all baselines. These results show that explicitly optimizing for target function smoothness is a powerful and underexplored strategy for tabular deep learning.

Zihao Ye, Juyong Kim, Johnna Sundberg +2

Machine Learning Department Carnegie Mellon University Pittsburgh, PA 15213, USA

Tabular ML Automated Feature Engineering Tabular Prediction

Aug 6, 2026cs.AI

Tracing the Heart: An Evidence-Linked Pipeline for Heart-Failure Feature Engineering

Electronic health record (EHR) feature engineering is a major bottleneck in clinical research and AI, accounting for 39-45% of data scientists' workload. This is especially pronounced in heart failure, which affects an estimated 6.7 million U.S. adults and requires integrating fragmented EHR data with disease-specific, guideline-based clinical reasoning. Existing rule-based and large language model (LLM)-based approaches offer only partial automation with limited maintainability and evidence traceability. We developed the Nimblemind Multi-Agent System (nMAS), an evidence-linked, rubric-grounded pipeline for automated heart-failure feature engineering, and evaluated it on 500 dummy patient records from nine EHR source tables. nMAS generated 132 structured and 70 rubric-scored aggregated features, verified for structural integrity, rubric compliance, and provenance, and audited by a restricted LLM. Adding the aggregated features improved held-out AUROC from 0.895 to 0.963 for HFrEF and 0.870 to 0.910 for HFpEF phenotyping, and an independent LLM-based rubric assessment of evidence support and methodological soundness scored the features at 81.5% of maximum points. These results demonstrate the feasibility of automated, auditable feature engineering for complex cardiovascular EHR data, though evaluation was limited to a single-institution cohort and external validation is needed.

Soorya Ram Shimgekar, Michelle Hu, Dorisa Shehi +10

Nimblemind · Singapore University of Technology and Design · University of Illinois Urbana-Champaign +4

Multi-Agent Systems Electronic Health Records Automated Feature Engineering

Aug 5, 2026cs.LG

When Do Corrective Features Help? An Agent for Corrective Feature Discovery on Black-Box Forecasters

Frozen pretrained forecasters often fail in structured, recurring ways that are costly to repair through fine-tuning. We study corrective feature discovery: mining interpretable features of a frozen forecaster's residual to drive a lightweight post-hoc corrector. Prior automated feature engineering models the data-generating process; corrective features instead model the model-failure process. We present CRAFTER (Corrective Residual Agent with Feature-based Temporal Exploration and Reasoning), which keeps the backbone frozen and mines its residual with two complementary generators: a compositional search over the raw input channels, and a large language model (LLM) that proposes named feature combinations, binary flags, and short executable code. A single validation-grounded gate accepts or rejects every candidate regardless of its origin, and a validation-selected corrector applies the accepted features or leaves the forecast unchanged. This source-agnostic pipeline also allows prior feature-engineering systems to be evaluated under identical conditions, making CRAFTER an instrument for attributing forecast improvements to the feature source alone. Across six public datasets and six frozen backbones, CRAFTER surpasses every dedicated feature-engineering system at every feature budget, roughly doubling the improvement achieved by the corrector alone and reducing the error of the weakest backbones by up to 27%. These gains are robust across different LLM backends and persist even when applied on top of fine-tuned backbones.

Fangxin Wang, Ziyi Zhang, Diyi Zhuang +4

University of Illinois Chicago · Texas A&M University · Massachusetts Institute of Technology +1

Residual Learning Time Series Forecasting Automated Feature Engineering

Aug 3, 2026stat.ME

Statistical comparisons of time-series feature sets on classification tasks

In recent years, numerous open-source software libraries have been developed for computing sets of features from univariate time series. The type and number of features vary across these feature sets, which have been constructed with varying disciplinary perspectives on quantifying structure in time-series data. To date, the relative strengths and weaknesses of these feature sets on time-series classification problems remains largely unexplored. Here we aimed to understand the relative performance of six open-source feature sets and three baseline feature sets (based on distributional and/or basic spectral structure) across 124 univariate time-series classification problems using a normalization-based approach to problem-level benchmarking that better indexes the relative strengths and weaknesses of different algorithms compared to prior rank-based approaches. Despite their dramatic differences in size, composition, and computation time, we found that feature sets performed relatively similarly overall (85.3% of pairwise comparisons resulted in ties), with the largest feature set, tsfresh, exhibiting the strongest overall performance (29.03% wins across all pairwise comparisons against other feature sets). We also highlighted specific problems on which the specific composition of a given feature set gave it a substantial performance advantage or disadvantage, and problems where simple baselines comprised of Fourier coefficients and quantiles were sufficient to achieve strong performance. Our results demonstrate the need to consider problem-level performance when benchmarking time-series feature sets, and highlight the importance of feature make-up in driving relative classification performance.

Trent Henderson, Ben D. Fulcher

Dynamics and Neural Systems Lab, The University of Sydney, Camperdown, 2006, NSW, Australia.

Time Series Classification Classification Automated Feature Engineering

Jul 29, 2026cs.LG

FunL2O: LLM-Guided Feature Function Design for Learning to Optimize

Learning-to-optimize (L2O) methods accelerate repeated optimization by training models to predict solutions, warm starts, branching decisions, or other forms of solver guidance. A critical yet largely overlooked component of these pipelines is the feature function that maps problem instances to inputs for machine learning models. Existing L2O methods typically rely on hand-crafted features, making representation design manual and largely fixed across domains. We introduce FunL2O, the first unified framework for automating feature design through LLM-driven program evolution for L2O. In a FunSearch-style loop, an LLM proposes executable feature functions, while a fixed evaluation process retrains the original L2O model and measures downstream optimization performance. We evaluate FunL2O on linear and quadratic programming tasks involving solution prediction and warm-starting, as well as on mixed-integer optimization tasks using GNN-guided backdoor branching and Predict-and-Search. Across continuous and discrete optimization tasks and four LLMs, the evolved features consistently outperform hand-crafted representations. These results establish LLM-driven feature evolution as a general and effective approach to automating representation design in L2O.

Bingheng Li, Junyang Cai, Yupeng Zhang +3

Michigan State University · University of Southern California · University of Wisconsin–Madison +1

Large Language Model-Guided Optimization Learning to Optimize Automated Feature Engineering

Jul 25, 2026cs.AI

Adaptive Graph-of-Islands Evolution for Automatic Feature Engineering with LLMs

Automatic feature engineering (AutoFE) for tabular data requires discovering informative transformations from a large program space. Existing approaches suffer from three limitations: classical methods rely on fixed operator libraries with limited expressivity, LLM-based methods generate proposals from static prompts without retaining search experience, and evolutionary methods use fixed migration policies that ignore task-specific cross-family transfer utility. We introduce TOPOFE, a framework that formulates AutoFE as graph-structured multi-island evolutionary program search. The transformation space is partitioned into semantically coherent families, each explored by an island through LLM-guided mutation and crossover. Each island maintains a Prompt Adaptation Memory that accumulates accept/reject feedback to steer proposals toward productive regions without parameter updates. To coordinate global exploration, TOPOFE dynamically learns a directed topology graph whose edge weights encode transfer utility between transformation families. Cross-island transfer is triggered by adaptive saturation detection and performed through LLM-mediated hybrid synthesis, enabling discovery of compositional feature programs that cannot emerge from isolated local search. Experiments on 29 tabular datasets show that TOPOFE consistently outperforms most state-of-the-art AutoFE methods on classification and regression tasks. Beyond predictive performance, TOPOFE produces feature sets with lower redundancy and higher representational coverage, while the learned topology graph acquires meaningful task-specific transfer structure correlated with downstream gains. The discovered feature programs transfer reliably across diverse predictors and LLM backbones, demonstrating that improvements arise from TOPOFE's structured search and adaptive coordination rather than backbone-specific generation capability.

Sha Li, Naren Ramakrishnan

Department of Computer Science Virginia Tech Blacksburg, VA 24060 · Department of Computer Science Virginia Tech Alexandria, VA 22305

Evolutionary Optimization Large Language Model-Guided Optimization LLM-Based Program Synthesis Tabular ML Automated Feature Engineering

Jul 20, 2026cs.LG

Automated Data Engineering and Feature Selection for the Case Study of Warpage Detection in Fused Deposition Modeling

This study contributes toward development of an Automated Data Processing (ADP) framework designed to evaluate and reinforce optimal machine learning model-feature combinations for predictive tasks in fused deposition modeling (FDM) process datasets. The methodology is centered around a reinforcement learning-inspired policy updating mechanism, where multiple machine learning models are trained on both full feature sets and feature subsets selected through Shapley-based Explainable AI (SHAP XAI) across 217 datasets. At each episode, the framework assesses the predictive accuracy and F1-scores of each model-feature pair, computes a scalar reward, and updates

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values to guide future model selection. SHAP XAI feature importance was employed to generate reduced yet informative feature subsets to enable the framework to explore performance with dimensionality. The policy was shown to evolve over multiple episodes, with reward distributions used to visualize performance stability. Overall, results indicate that leveraging the ADP framework through XAI algorithms successfully converges toward optimal model-feature configurations with improved accuracy and stability. Specifically, the proposed framework improves the test-set AUC from 0.9248 to 0.9731 and increases the mean reward value by more than fifty percent compared with the baseline full-feature configuration.

Saleh Valizadeh Sotubadi, Nazanin Mahjourian, Vinh Nguyen

Department of Mechanical and Aerospace Engineering, Michigan Technological University, 1400 Townsend Drive, Houghton, 49931, MI, USA.

Feature Selection Automated Machine Learning Automated Feature Engineering

Jul 6, 2026cs.CL

EEG-SpikeAgent: Agentic Closed-Loop Program Synthesis for Automated EEG Spike Detection

Automated detection of interictal epileptiform discharges in scalp electroencephalography (EEG) is clinically important, but recent high-performing deep-learning models often trade interpretability for accuracy. We introduce EEG-SpikeAgent, a closed-loop program-synthesis framework that uses a large language model (LLM) agentic system to generate signal-processing features for spike detection in scalp EEG. The system iteratively proposes one deterministic EEG feature module at a time, executes the resulting code on EEG to generate tabular features, evaluates performance via a tabular classifier, summarizes run-level metrics, and feeds structured diagnostics back to the model for refinement. Across iterations, EEG-SpikeAgent proposes and refines candidate signal features and decision rules informed by model performance. We evaluated EEG-SpikeAgent on VEPISET, a public 29-channel dataset of 4-second epochs containing 2,516 discharge-containing and 22,933 non-discharge epochs. Across five-fold cross-validation with a gradient-boosted tree classifier, agent-generated features achieved an area under the receiver operating characteristic curve of 0.935, balanced accuracy of 0.699, F1 score of 0.557, sensitivity of 0.401, and specificity of 0.996 at the default operating point. At an operating point with sensitivity 0.80, mean precision was 0.470 and mean specificity was 0.900. Artifact-aware feature generation improved balanced accuracy and F1 score over spike-only feature search. These results indicate that LLM-based program synthesis can automate EEG feature engineering in auditable and inspectable code-driven manner for clinical and methodological review.

Sonali Santhosh, Kelly Shuhong Yu, Eugene Chang +3

Dept. of Brain and Cognitive Sciences, Massachusetts Institute of Technology, Cambridge, MA, USA · Dept. of Neuroscience, University of California, Berkeley, Berkeley, CA, USA · Dept. of Neurology and Neurologic Sciences, Stanford University, Palo Alto, CA, USA +1

Electroencephalography LLM-Based Program Synthesis Automated Feature Engineering

Jul 2, 2026cs.LG

Evolutionary Feature Engineering for Structured Data

Large language models are increasingly used as open-ended search operators in evolutionary optimization. We introduce Evolutionary Feature Engineering (EFE), a framework for using LLM-based evolution to discover preprocessing transformations for structured data. EFE represents transformations as Python programs with a standardized fit/transform interface, allowing them to be inserted directly into existing machine learning pipelines. During evolution, candidate programs are refined using dataset context, summary statistics, and downstream performance feedback on validation set. We instantiate EFE in two settings. For time-series forecasting, EFE-Time learns invertible, dataset-specific normalizations that improve off-the-shelf time-series foundation models. It reduces forecasting errors (MASE, WQL, MAE) 3% or more when averaged across datasets and improvements are as much as 19% on the COVID-Deaths dataset. Notably, these improvements occur with recent TSFMs such as Chronos-2. For tabular prediction, EFE-Tab evolves compact feature programs that add useful interpretable features and remove redundant ones, improving or matching existing LLM-based feature-engineering methods. We found EFE-Tab to be particularly effective on classical decision trees, where small sets of evolved features yield competitive accuracy while preserving interpretability. Overall, EFE demonstrates that LLM-based evolution can improve both accuracy and interpretability when automatically tackling structured data.

Ege Onur Taga, Yilin Zhuang, M. Emrullah Ildiz +4

University of Michigan · Google Research

Large Language Model-Guided Optimization Time Series Forecasting Tabular ML Automated Feature Engineering

Jul 1, 2026cs.LG

Interpretable vs Learned Encoders for High-Cardinality Fraud Detection

A total of seven categorical encoding methods were tested on the IEEE-CIS fraud benchmark dataset (590,540 records, 3.5% positives, 8 high-cardinality columns). The encoders were evaluated using a stratified 5-fold cross-validation (CV) with three repetitions. Five of the encoders had identical frozen LightGBM learners in the downstream phase, allowing for controlled comparisons of their performance to each other. CatBoost and TabNet were included as comparisons across paradigms using different learners. The entity embeddings produced the highest AUC-ROC (0.9612), with a statistically significant tie with that of CatBoost (0.9602) and statistically superior to tier group encoding (0.9548), whereas target encoding was only 0.0023 worse than tier group encoding and the auditor-friendly tier boundaries were maintained. Off-the-shelf TabNet did not outperform tree-based pipelines and collapsed under data scarcity. On AUC-PR, CatBoost leads (0.822 vs. 0.793); no encoder dominated both metrics. Per-column analysis confirmed the embedding advantage arises from joint multi-column representation.

Xiao Han, Jingjing Liu, Moxuan Zheng +2

Goizueta Business School Emory University Atlanta, GA, USA · Electrical Engineering and Computer Sciences University of California, Berkeley Kirkland, WA · Stern School of Business New York University New York, NY, USA +2

Financial Fraud Detection Tabular ML Automated Feature Engineering

Jun 29, 2026cs.CV

TopoAgent: An Agentic Framework for Automated Topology Learning in Medical Imaging

Topological data analysis (TDA), particularly persistent homology (PH), captures geometric structural properties in medical images (e.g., connected components, loops, shape characteristics), which conventional pixel-level deep learning approaches often neglect. While many topological descriptors are known for converting persistence diagrams (PDs) or raw images into topological feature vectors, existing methods mostly default to a single fixed descriptor (e.g., persistence images), leaving the diversity of topological representations largely unexplored. To the best of our knowledge, there is no known large language model (LLM)-based agentic framework that can automatically determine the most suitable topological descriptors for a given image dataset and produce the corresponding topological feature vectors for downstream tasks. To fill this gap, we propose \textbf{TopoAgent}, an LLM-based agentic framework that automates topology learning for medical image analysis.TopoAgent operates through a Perception--Reasoning--Action--Reflection loop supported by 21 domain-specific tools and dual memory that accumulates experience across runs. Its skill set is distilled from systematic evaluation of 15 topological descriptors across 26 datasets with six classifiers. TopoAgent analyzes input images and their topological characteristics, reasons about which topological descriptors best suit the input, and determines the optimal descriptor and its configuration, all without task-specific training.

Guangyu Meng, Pengfei Gu, Xueyang Li +3

Dept. of Computer Science and Engineering, University of Notre Dame, Notre Dame, IN, USA · Dept. of Computer Science, The University of Texas Rio Grande Valley, Edinburg, TX, USA

Medical Image Analysis Persistent Homology Automated Feature Engineering Topological Representation Learning Topological Data Analysis

Jun 16, 2026cs.CV

When LLMs Analyze Scars: From Images to Clinically-Meaningful Features

Medical image classification faces a fundamental dilemma: while deep learning models achieve remarkable performance at scale, real-world clinical scenarios often suffer from severe data scarcity due to annotation costs, privacy constraints, and disease rarity. This challenge is particularly pronounced in pathological scar classification, where differentiating keloids from hypertrophic scars requires subtle expert knowledge and labeled images are extremely limited. We propose a novel paradigm that repositions large language models (LLMs) as knowledge-driven feature engineers rather than end-to-end classifiers. We call this framework ScaFE (Scar Feature Engineering). Our key insight is that LLMs encode rich medical knowledge that can be externalized as executable feature extraction code, enabling the transformation of high-dimensional images into low-dimensional, clinically interpretable representations. Specifically, we prompt an LLM with established scar assessment criteria to generate deterministic Python code that extracts features aligned with clinical scoring systems such as the Vancouver Scar Scale. Our approach offers three key advantages: (1) data efficiency, achieving robust performance with limited training samples by decoupling knowledge acquisition from statistical learning; (2) privacy preservation, as raw images are processed locally without exposure to external LLMs; and (3) interpretability, through explicit features grounded in clinical reasoning. Extensive experiments on scar classification demonstrate that our method consistently outperforms end-to-end deep learning baselines or using LLMs as black-box classifiers under limited data conditions, establishing a promising direction for integrating LLMs into data-efficient and clinically transparent medical AI systems.

Ruman Wang, Hangting Ye

Liaoning University of Traditional Chinese Medicine · School of Artificial Intelligence, Jilin University

Medical Diagnosis Medical Image Classification Explainable Medical Image Analysis Automated Feature Engineering

Jun 12, 2026cs.CL

Persuasion Index: A Theory-Guided Framework for Persuasion Analysis

Identifying persuasive rhetorical cues is critical across domains, from detecting information manipulation and improving AI safety to advancing public health communication. We propose Persuasion Index (PI), a taxonomy of 15 dimensions grounded in persuasion theories from psychology and communication, and one transparent implementation using 55 sub-features built from lexicons and rule-based detectors. The taxonomy is modular: individual detectors can be replaced while preserving the theoretical structure. By evaluating PI on four public datasets varying in domain, style, and outcome measures, we show that PI provides a shared feature space for interpreting rhetorical patterns associated with persuasion-related outcomes. Linear models show that PI features carry meaningful predictive signal while remaining computationally lightweight. Dimension-level analyses reveal recurring associations between PI dimensions and persuasion outcomes across datasets, while also highlighting topic- and stance-specific variation. We release PI as an open-source package and web interface for principled and auditable analysis of human and AI-mediated communication.

Liancheng Gong, Zhiyang Wang, Yiwei Xu +1

University of Maryland, College Park · New York University

Automated Feature Engineering

Jun 8, 2026cs.AI

LATTEArena: An Evaluation Framework for LLM-powered Tabular Feature Engineering (Extended Version)

Feature engineering remains a cornerstone of tabular data analysis, and Large Language Models (LLMs) have emerged as a promising paradigm for its automation, giving rise to LLM-powered Automated Tabular Feature Engineering (LATTE). However, the field lacks standardized, cost-aware evaluation platforms, and the combinatorial explosion of design choices obscures true algorithmic progress. To bridge these gaps, we systematically deconstruct 15 representative LATTE methods into a unified 6-dimensional taxonomy. Based on this abstraction, we introduce LATTEArena, a standardized, modular, and extensible benchmarking framework that decouples monolithic pipelines into reusable execution blocks. By distilling the massive combinatorial space, we evaluate 24 core LATTE configurations across 7 research questions. Our head-to-head benchmarking goes beyond predictive accuracy to quantify token efficiency and execution robustness, yielding 17 empirical findings on cost-effectiveness trade-offs. Furthermore, we provide 3 concrete recommendations for optimal real-world deployment. By enabling controlled component-level comparisons, LATTEArena shifts the paradigm from ad-hoc prompt engineering to systematic context management. All code, datasets, and over 4,000 execution logs are publicly available to foster a dynamic, community-driven benchmark. Our framework, leaderboard, and all artifacts are hosted on the LATTEArena project website at https://goodenhak.github.io/LATTEArena.

Ankai Hao, Ke Chen, Huan Li +1

Zhejiang University

LLM Evaluation Tabular ML Automated Feature Engineering

Jun 7, 2026cs.AI

Bridging Expert Knowledge and Automated Feature Engineering via Self-Evolution

In high-stakes settings such as brand compliance, clinical care, and content moderation, machine learning cannot be deployed as opaque oracles: practitioners inspect the features driving model decisions, and models must leverage the expert documentation governing these domains. In practice, the data arrives as unstructured content, and features extracted from it must be interpretable, discriminative, and aligned with what experts consider important. Existing methods fall short: they target tabular inputs, lack demonstrated expert alignment, and cannot operationalize qualitative criteria such as 'maintain professional tone' into precise features. We present FEST (Feature Engineering with Self-evolving Trees), combining dual-stream feature generation (semantic and deterministic), semantic deduplication, and tree-guided iterative evolution to discover auditable features from raw text and images. FEST leads in 17 of 20 classifier-task combinations across brand classification, content authenticity detection, and stress detection, with a mean gain of 4.2 pp over the strongest baseline across five classifiers. An LLM-as-judge evaluation shows FEST achieves 60-80% coverage of expert-designed brand features at strict semantic-alignment thresholds, corroborated by a human expert study rating features highly on relevance, clarity, and actionability. When seeded with expert guidelines, FEST refines qualitative criteria into operational features, improving accuracy by 6-12 pp on average across brands. To enable systematic evaluation of expert alignment in automated feature engineering, we release BrandGuide, the first dataset pairing expert-designed features with 1M+ assets across 2,683 brands. By grounding feature engineering in expert knowledge, FEST opens a practical pathway for interpretable ML in domains demanding human oversight.

Varun Khurana, Vijval Ekbote, Vashu Chauhan +3

Adobe Media and Data Science Research · IIIT-Delhi

Interpretable ML Automated Feature Engineering

Jun 1, 2026cs.LG

TabPrep: Closing the Feature Engineering Gap in Tabular Benchmarks

Progress in tabular machine learning has largely focused on increasingly sophisticated model architectures. At the same time, feature engineering remains a critical yet underexplored component of real-world modeling pipelines that is entirely absent from modern benchmarks, which creates an unquantified evaluation gap. In this work, we introduce TabPrep, a lightweight preprocessing pipeline composed of feature generators that are carefully designed to target three specific structural data patterns. We show that many widely used model classes exhibit predictable blind spots to these patterns and that systematic feature engineering alone can establish new peak performance. Across the TabArena benchmark, integrating TabPrep into model training and tuning consistently improves performance for tree-based, neural, linear, and foundation models, often surpassing gains achieved by model-centric innovations alone. TabPrep outperforms previous automated feature engineering approaches in performance, efficiency, and applicability across datasets, enabling integration into large-scale benchmarks. By releasing TabPrep (see https://github.com/atschalz/tabprep), we enable researchers to integrate feature engineering into their benchmarking setup, filling a longstanding gap in tabular evaluations.

Andrej Tschalzev, Nick Erickson, Yuyang Wang +4

University of Mannheim · Prior Labs · AWS +3

Tabular ML Automated Feature Engineering Tabular Prediction

May 24, 2026cs.CL

Eureka: Intelligent Feature Engineering for Enterprise AI Cloud Resource Demand Prediction

Effective features are crucial for predictive model performance, but creating them often requires domain expertise, limiting scalability across applications. We define feature engineering as an agentic code generation problem: features are not static data transformations, but executable programs that can be generated, evaluated, and iteratively improved. We present Eureka, an LLM-driven framework with three stages. (1) An Expert Agent, fine-tuned via SFT on domain knowledge, produces structured feature design plans in JSON format. (2) An LLM Feature Factory translates each plan into executable Python code through chain-of-thought reasoning, turning feature hypotheses into runnable programs. (3) A Self-Evolving Alignment Engine uses Reinforcement Learning (GRPO) with dual-channel reward (metric-based utility + semantic alignment) to enhance code quality. By expressing features as programs, the learned generation patterns can transfer across domains. Evaluated on 7 public benchmarks in healthcare, finance, and social domains, Eureka consistently outperforms both traditional AutoFE and LLM-based baselines. We further demonstrate Eureka's effectiveness on cloud GPU resource demand prediction at Alibaba Cloud, where Eureka improves demand fulfillment rate by 16% and lowers computing resource migration rates by 33%.

Hangxuan Li, Renjun Jia, Xuezhang Wu +3

Alibaba Cloud Computing Co. Ltd, Hangzhou, China · School of Computer Science, Fudan University, Shanghai, China · School of Computer Science and Technology, Tongji University, Shanghai, China +1

LLM-Based Program Synthesis Cloud Computing Automated Feature Engineering

May 14, 2026cond-mat.mtrl-sci

Agentic Design of Compositional Descriptors via Autoresearch for Materials Science Applications

Autoresearch offers a flexible paradigm for automating scientific tasks, in which an AI agent proposes, implements, evaluates, and refines candidate solutions against a quantitative objective. Here, we use composition-based materials-property prediction to test whether such agents can perform a task beyond model selection and hyperparameter optimization: the design of input descriptors. We introduce Automat, an autoresearch framework where a coding agent based on a large language model generates composition-only descriptors for chemical compounds and evaluates them using a random forest workflow. The agent is restricted to information derivable from chemical formulas and iteratively proposes, implements, and tests chemically motivated descriptor strategies. We apply Automat, with OpenAI Codex using GPT-5.5 as the coding agent, to the prediction of experimental band gaps in inorganic materials and Curie temperatures in ferromagnetic compounds. In both tasks, Automat improves over fractional-composition, Magpie, and combined fractional-composition/Magpie baselines, while producing descriptor families that are chemically interpretable. These results provide a demonstration that autoresearch agents can generate competitive, task-specific materials descriptors without manual feature engineering during the run. They also reveal current limitations, including descriptor redundancy, sensitivity to greedy feature expansion, and the need for explicit complexity control, descriptor pruning, and more sophisticated search strategies.

Matteo Cobelli, Stefano Sanvito

School of Physics and CRANN Institute, Trinity College, Dublin 2, Dublin, Ireland.

Materials Property Prediction Automated Feature Engineering Autonomous Research Agents Computational Materials Science

May 12, 2026cs.SC

FePySR: A Neural Feature Extraction Framework for Efficient and Scalable Symbolic Regression

A fundamental challenge in symbolic regression (SR) is efficiently recovering complex mathematical expressions from observational data. Although this problem is NP-hard, many expressions of practical interest decompose naturally into combinations of nonlinear feature modules, concentrating structural complexity into a small number of reusable components. Here, we introduce FePySR, a two-stage framework that reduces the SR search space by extracting valid features prior to equation search. FePySR first employs a heterogeneous neural network to constrain observational data to a set of candidate expressions, then performs structural optimization within this refined expression space using PySR. Across five standard benchmarks, FePySR outperforms state-of-the-art methods by achieving higher equation recovery rates. On a set of 75 highly complex synthesized equations, FePySR recovers 36 equations, while producing substantially smaller mean squared errors on the remaining unrecovered cases, with reduced computation time compared to PySR. FePySR's first stage also maintains consistent performance under varying numbers of selected top features and increasing levels of noise in the observational data. Applied to ordinary differential equations governing biological systems, FePySR successfully identifies governing equations in 24 out of 100 tests where PySR recovers none. Taken together, FePySR is a generalizable framework that can enhance the SR solvers, enabling the efficient and reliable recovery of symbolic expressions across scientific domains.

Zhiming Yu, Wangtao Lu, Xin Lai

School of Mathematical Sciences, Zhejiang University, Hangzhou, Zhejiang, China · Faculty of Medicine and Health Technology, Tampere University, Tampere, Finland

Nonlinear System Identification Automated Feature Engineering Symbolic Regression

May 8, 2026cs.LG

RelAgent: LLM Agents as Data Scientists for Relational Learning

Relational learning is a challenging problem that has motivated a wide range of approaches, including graph-based models (e.g., graph neural networks, graph transformers), tabular methods (e.g., tabular foundation models), and sequence-based approaches (e.g., large language models), each with its own advantages and limitations. We propose RelAgent, an LLM-based autonomous data scientist for relational learning, which operates in two phases. In the search phase, an LLM agent uses database, validation, and evaluation workspace tools to construct SQL feature programs and select a predictive model. In the inference phase, the resulting program is executed without further LLM calls. The final predictor consists of SQL queries and a classical model, enabling fast, deterministic, and intrinsically interpretable predictions: features are human-readable queries, and predictions depend only on the resulting query-defined feature map, enabling scalable deployment using standard database systems.

Xingyue Huang, Louis Tichelman, Jinwoo Kim +2

University of Oxford · AITHYRA · TU Wien +1

Interpretable ML LLM Agents Automated Machine Learning Automated Feature Engineering Data Analysis Agents

Apr 29, 2026stat.ML

SCOPE-FE: Structured Control of Operator and Pairwise Exploration for Feature Engineering

Automatic feature engineering is an effective approach for improving predictive performance in tabular learning. However, expand-and-reduce methods, such as OpenFE, become increasingly computationally expensive as the input dimensionality grows. This limitation arises primarily from the combinatorial explosion of candidate features generated through operator-feature combinations. To address this issue, we propose SCOPE-FE, a structured search space control framework that improves efficiency by reducing the candidate space prior to feature generation. SCOPE-FE jointly regulates two major sources of combinatorial growth: the operator space and feature-pair space. First, OperatorProbing estimates the dataset-specific utility of candidate operators and eliminates low-contribution operators in advance. Second, FeatureClustering employs spectral embedding and fuzzy c-means clustering to group structurally related features, thereby restricting candidate generation to relevant within-cluster combinations. In addition, we introduce ReliabilityScoring, which incorporates variance across subsamples to stabilize pruning decisions. Experiments on ten benchmark datasets demonstrate that SCOPE-FE substantially reduces feature engineering time while maintaining competitive predictive performance relative to existing baselines. The efficiency gains are particularly pronounced for high-dimensional datasets. These results indicate that structured control of the search space is an effective strategy for scalable automatic feature engineering. The code will be made publicly available upon acceptance.

Minhee Park, Seongyeon Son, Yonghyun Lee +1

Tabular ML Automated Feature Engineering

Apr 24, 2026cs.LG

FeatEHR-LLM: Leveraging Large Language Models for Feature Engineering in Electronic Health Records

Feature engineering for Electronic Health Records (EHR) is complicated by irregular observation intervals, variable measurement frequencies, and structural sparsity inherent to clinical time series. Existing automated methods either lack clinical domain awareness or assume clean, regularly sampled inputs, limiting their applicability to real-world EHR data. We present \textbf{FeatEHR-LLM}, a framework that leverages Large Language Models (LLMs) to generate clinically meaningful tabular features from irregularly sampled EHR time series. To limit patient privacy exposure, the LLM operates exclusively on dataset schemas and task descriptions rather than raw patient records. A tool-augmented generation mechanism equips the LLM with specialized routines for querying irregular temporal data, enabling it to produce executable feature-extraction code that explicitly handles uneven observation patterns and informative sparsity. FeatEHR-LLM supports both univariate and multivariate feature generation through an iterative, validation-in-the-loop pipeline. Evaluated on eight clinical prediction tasks across four ICU datasets, our framework achieves the highest mean AUROC on 7 out of 8 tasks, with improvements of up to 6 percentage points over strong baselines. Code is available at github.com/hojjatkarami/FeatEHR-LLM.

Hojjat Karami, David Atienza, Jean-Philippe Thiran +1

1École Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland

Healthcare Electronic Health Records Automated Feature Engineering

Apr 23, 2026cs.AI

CoFEE: Reasoning Control for LLM-Based Feature Discovery

Feature discovery from complex unstructured data is fundamentally a reasoning problem: it requires identifying abstractions that are predictive of a target outcome while avoiding leakage, proxies, and post-outcome signals. With the introduction of ever-improving Large Language Models (LLMs), our method provides a structured method for addressing this challenge. LLMs are well suited for this task by being able to process large amounts of information, but unconstrained feature generation can lead to weak features. In this work, we study reasoning control in LLMs by inducing cognitive behaviors for improving feature discovery. We introduce CoFEE (Cognitive Feature Engineering Engine), a reasoning control framework that enforces cognitive behaviors in how the LLM reasons during feature discovery. From a machine learning perspective, these cognitive behaviors act as structured inductive biases over the space of candidate features generated by the model. These behaviors have been exploited with success in ML models, and include backward chaining from outcomes, subgoal decomposition, verification against observability and leakage criteria, and explicit backtracking of rejected reasoning paths. In a controlled comparison, we show that enforcing cognitive behaviors yields features with higher empirical predictability than those under unconstrained vanilla LLM prompts. CoFEE achieves an average Success Rate Score that is 15.2% higher than the vanilla approach, while generating 29% fewer features and reducing costs by 53.3%. Using held-out feature evaluation, we assess whether cognitively induced features generalize beyond the data used for discovery. Our results indicate that, in our evaluated setting, reasoning control is associated with improvements in quality and efficiency of LLM-based feature discovery.

Maximilian Westermann, Ben Griffin, Aaron Ontoyin Yin +6

University of Oxford · Vela Research · Amazon

LLM Prompting Automated Feature Engineering LLM Reasoning

Apr 22, 2026cs.AI

Memory-Augmented LLM-based Multi-Agent System for Automated Feature Generation on Tabular Data

Automated feature generation extracts informative features from raw tabular data without manual intervention and is crucial for accurate, generalizable machine learning. Traditional methods rely on predefined operator libraries and cannot leverage task semantics, limiting their ability to produce diverse, high-value features for complex tasks. Recent Large Language Model (LLM)-based approaches introduce richer semantic signals, but still suffer from a restricted feature space due to fixed generation patterns and from the absence of feedback from the learning objective. To address these challenges, we propose a Memory-Augmented LLM-based Multi-Agent System (\textbf{MALMAS}) for automated feature generation. MALMAS decomposes the generation process into agents with distinct responsibilities, and a Router Agent activates an appropriate subset of agents per iteration, further broadening exploration of the feature space. We further integrate a memory module comprising procedural memory, feedback memory, and conceptual memory, enabling iterative refinement that adaptively guides subsequent feature generation and improves feature quality and diversity. Extensive experiments on multiple public datasets against state-of-the-art baselines demonstrate the effectiveness of our approach. The code is available at https://github.com/fxdong24/MALMAS

Fengxian Dong, Zhi Zheng, Xiao Han +5

University of Science and Technology of China · Zhejiang University of Technology · Meituan

Tabular ML Multi-Agent LLMs Automated Feature Engineering Memory-Augmented Language Model Agents

Feb 10, 2026cs.LG

MedFeat: Model-Aware and Explainability-Driven Feature Engineering with LLMs for Tabular Prediction

In clinical tabular prediction, classical machine learning models with feature engineering often outperform neural methods. LLMs are increasingly used to automate this process, acting as domain experts that propose diverse feature transformations to boost downstream performance. However, the feature generation process of existing LLM-based methods is agnostic to the downstream learner: the LLM receives no signal about which features currently drive predictions or where the model's representational capacity falls short, so proposals are neither targeted to promising regions of the feature space nor tailored to the learner's inductive bias. This shortcoming is amplified in healthcare data, which simultaneously exhibits class imbalance, heterogeneous feature spaces, and strict interpretability requirements. In this paper, we propose MedFeat, the first feature engineering framework inspired by the workflow of machine learning practitioners, leveraging model-awareness and feature importance signals to iteratively guide feature discovery for clinical tabular learning. We evaluate MedFeat on a broad range of challenging real-world clinical tasks and show that it statistically significantly outperforms state-of-the-art baselines, with an average F1 improvement of more than 10% over the baseline across models with distinct inductive biases.

Zizheng Zhang, Yiming Li, Justin Xu +6

Microsoft Research · University of Oxford

Interpretable ML Clinical Prediction Automated Feature Engineering Tabular Prediction