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.
As the field of automated machine learning (AutoML) advances, it becomes increasingly important to incorporate domain knowledge into these systems. We present an approach for doing so by harnessing the power of large language models (LLMs). Specifically, we introduce Context-Aware Automated Feature Engineering (CAAFE), a feature engineering method for tabular datasets that utilizes an LLM to iteratively generate additional semantically meaningful features for tabular datasets based on the description of the dataset. The method produces both Python code for creating new features and explanations for the utility of the generated features. Despite being methodologically simple, CAAFE improves performance on 11 out of 14 datasets -- boosting mean ROC AUC performance from 0.798 to 0.822 across all dataset - similar to the improvement achieved by using a random forest instead of logistic regression on our datasets. Furthermore, CAAFE is interpretable by providing a textual explanation for each generated feature. CAAFE paves the way for more extensive semi-automation in data science tasks and emphasizes the significance of context-aware solutions that can extend the scope of AutoML systems to semantic AutoML. We release our $\href{https://github.com/automl/CAAFE}{code}$, a simple $\href{https://colab.research.google.com/drive/1mCA8xOAJZ4MaB_alZvyARTMjhl6RZf0a}{demo}$ and a $\href{https://pypi.org/project/caafe/}{python\ package}$.
The increasing integration of machine learning across various domains has underscored the necessity for accessible systems that non-experts can utilize effectively. To address this need, the field of automated machine learning (AutoML) has developed tools to simplify the construction and optimization of ML pipelines. However, existing AutoML solutions often lack efficiency in creating online pipelines and ease of use for Human-Computer Interaction (HCI) applications. Therefore, in this paper, we introduce AdaptoML-UX, an adaptive framework that incorporates automated feature engineering, machine learning, and incremental learning to assist non-AI experts in developing robust, user-centered ML models. Our toolkit demonstrates the capability to adapt efficiently to diverse problem domains and datasets, particularly in HCI, thereby reducing the necessity for manual experimentation and conserving time and resources. Furthermore, it supports model personalization through incremental learning, customizing models to individual user behaviors. HCI researchers can employ AdaptoML-UX (\url{https://github.com/MichaelSargious/AdaptoML_UX}) without requiring specialized expertise, as it automates the selection of algorithms, feature engineering, and hyperparameter tuning based on the unique characteristics of the data.
Automated feature engineering (AutoFE) is the process of automatically building and selecting new features that help improve downstream predictive performance. While traditional feature engineering requires significant domain expertise and time-consuming iterative testing, AutoFE strives to make feature engineering easy and accessible to all data science practitioners. We introduce a new AutoFE algorithm, IIFE, based on determining which feature pairs synergize well through an information-theoretic perspective called interaction information. We demonstrate the superior performance of IIFE over existing algorithms. We also show how interaction information can be used to improve existing AutoFE algorithms. Finally, we highlight several critical experimental setup issues in the existing AutoFE literature and their effects on performance.
In tabular prediction tasks, tree-based models combined with automated feature engineering methods often outperform deep learning approaches that rely on learned representations. While these feature engineering techniques are effective, they typically depend on a pre-defined search space and primarily use validation scores for feature selection, thereby missing valuable insights from previous experiments. To address these limitations, we propose a novel tabular learning framework that utilizes large language models (LLMs), termed Optimizing Column feature generator with decision Tree reasoning (OCTree). Our key idea is to leverage the reasoning capabilities of LLMs to identify effective feature generation rules without manually specifying the search space and provide language-based reasoning information highlighting past experiments as feedback for iterative rule improvements. We use decision trees to convey this reasoning information, as they can be easily represented in natural language, effectively providing knowledge from prior experiments (i.e., the impact of the generated features on performance) to the LLMs. Our empirical results demonstrate that OCTree consistently enhances the performance of various prediction models across diverse benchmarks, outperforming competing automated feature engineering methods. Code is available at https://github.com/jaehyun513/OCTree.
Creating an effective representation space is crucial for mitigating the curse of dimensionality, enhancing model generalization, addressing data sparsity, and leveraging classical models more effectively. Recent advancements in automated feature engineering (AutoFE) have made significant progress in addressing various challenges associated with representation learning, issues such as heavy reliance on intensive labor and empirical experiences, lack of explainable explicitness, and inflexible feature space reconstruction embedded into downstream tasks. However, these approaches are constrained by: 1) generation of potentially unintelligible and illogical reconstructed feature spaces, stemming from the neglect of expert-level cognitive processes; 2) lack of systematic exploration, which subsequently results in slower model convergence for identification of optimal feature space. To address these, we introduce an interaction-aware reinforced generation perspective. We redefine feature space reconstruction as a nested process of creating meaningful features and controlling feature set size through selection. We develop a hierarchical reinforcement learning structure with cascading Markov Decision Processes to automate feature and operation selection, as well as feature crossing. By incorporating statistical measures, we reward agents based on the interaction strength between selected features, resulting in intelligent and efficient exploration of the feature space that emulates human decision-making. Extensive experiments are conducted to validate our proposed approach.
We introduce the concept of programmable feature engineering for time series modeling and propose a feature programming framework. This framework generates large amounts of predictive features for noisy multivariate time series while allowing users to incorporate their inductive bias with minimal effort. The key motivation of our framework is to view any multivariate time series as a cumulative sum of fine-grained trajectory increments, with each increment governed by a novel spin-gas dynamical Ising model. This fine-grained perspective motivates the development of a parsimonious set of operators that summarize multivariate time series in an abstract fashion, serving as the foundation for large-scale automated feature engineering. Numerically, we validate the efficacy of our method on several synthetic and real-world noisy time series datasets.
The assignment of importance scores to particular frames or (short) segments in a video is crucial for summarization, but also a difficult task. Previous work utilizes only one source of visual features. In this paper, we suggest a novel model architecture that combines three feature sets for visual content and motion to predict importance scores. The proposed architecture utilizes an attention mechanism before fusing motion features and features representing the (static) visual content, i.e., derived from an image classification model. Comprehensive experimental evaluations are reported for two well-known datasets, SumMe and TVSum. In this context, we identify methodological issues on how previous work used these benchmark datasets, and present a fair evaluation scheme with appropriate data splits that can be used in future work. When using static and motion features with parallel attention mechanism, we improve state-of-the-art results for SumMe, while being on par with the state of the art for the other dataset.
Feature engineering, a crucial step of machine learning, aims to extract useful features from raw data to improve data quality. In recent years, great efforts have been devoted to Automated Feature Engineering (AutoFE) to replace expensive human labor. However, existing methods are computationally demanding due to treating AutoFE as a coarse-grained black-box optimization problem over a discrete space. In this work, we propose an efficient gradient-based method called DIFER to perform differentiable automated feature engineering in a continuous vector space. DIFER selects potential features based on evolutionary algorithm and leverages an encoder-predictor-decoder controller to optimize existing features. We map features into the continuous vector space via the encoder, optimize the embedding along the gradient direction induced by the predicted score, and recover better features from the optimized embedding by the decoder. Extensive experiments on classification and regression datasets demonstrate that DIFER can significantly improve the performance of various machine learning algorithms and outperform current state-of-the-art AutoFE methods in terms of both efficiency and performance.
An estimated 180 papers focusing on deep learning and EHR were published between 2010 and 2018. Despite the common workflow structure appearing in these publications, no trusted and verified software framework exists, forcing researchers to arduously repeat previous work. In this paper, we propose Cardea, an extensible open-source automated machine learning framework encapsulating common prediction problems in the health domain and allows users to build predictive models with their own data. This system relies on two components: Fast Healthcare Interoperability Resources (FHIR) -- a standardized data structure for electronic health systems -- and several AUTOML frameworks for automated feature engineering, model selection, and tuning. We augment these components with an adaptive data assembler and comprehensive data- and model- auditing capabilities. We demonstrate our framework via 5 prediction tasks on MIMIC-III and Kaggle datasets, which highlight Cardea's human competitiveness, flexibility in problem definition, extensive feature generation capability, adaptable automatic data assembler, and its usability.
Machine learning and data mining techniques have been used extensively in order to detect credit card frauds. However, most studies consider credit card transactions as isolated events and not as a sequence of transactions. In this framework, we model a sequence of credit card transactions from three different perspectives, namely (i) The sequence contains or doesn't contain a fraud (ii) The sequence is obtained by fixing the card-holder or the payment terminal (iii) It is a sequence of spent amount or of elapsed time between the current and previous transactions. Combinations of the three binary perspectives give eight sets of sequences from the (training) set of transactions. Each one of these sequences is modelled with a Hidden Markov Model (HMM). Each HMM associates a likelihood to a transaction given its sequence of previous transactions. These likelihoods are used as additional features in a Random Forest classifier for fraud detection. Our multiple perspectives HMM-based approach offers automated feature engineering to model temporal correlations so as to improve the effectiveness of the classification task and allows for an increase in the detection of fraudulent transactions when combined with the state of the art expert based feature engineering strategy for credit card fraud detection. In extension to previous works, we show that this approach goes beyond ecommerce transactions and provides a robust feature engineering over different datasets, hyperparameters and classifiers. Moreover, we compare strategies to deal with structural missing values.
This paper describes the autofeat Python library, which provides scikit-learn style linear regression and classification models with automated feature engineering and selection capabilities. Complex non-linear machine learning models, such as neural networks, are in practice often difficult to train and even harder to explain to non-statisticians, who require transparent analysis results as a basis for important business decisions. While linear models are efficient and intuitive, they generally provide lower prediction accuracies. Our library provides a multi-step feature engineering and selection process, where first a large pool of non-linear features is generated, from which then a small and robust set of meaningful features is selected, which improve the prediction accuracy of a linear model while retaining its interpretability.
As the field of data science continues to grow, there will be an ever-increasing demand for tools that make machine learning accessible to non-experts. In this paper, we introduce the concept of tree-based pipeline optimization for automating one of the most tedious parts of machine learning---pipeline design. We implement an open source Tree-based Pipeline Optimization Tool (TPOT) in Python and demonstrate its effectiveness on a series of simulated and real-world benchmark data sets. In particular, we show that TPOT can design machine learning pipelines that provide a significant improvement over a basic machine learning analysis while requiring little to no input nor prior knowledge from the user. We also address the tendency for TPOT to design overly complex pipelines by integrating Pareto optimization, which produces compact pipelines without sacrificing classification accuracy. As such, this work represents an important step toward fully automating machine learning pipeline design.