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The representation of feature space is a crucial environment where data points get vectorized and embedded for subsequent modeling. Thus the efficacy of machine learning (ML) algorithms is closely related to the quality of feature…

Machine Learning · Computer Science 2026-01-12 Xinhao Zhang , Jinghan Zhang , Banafsheh Rekabdar , Yuanchun Zhou , Pengfei Wang , Kunpeng Liu

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…

Machine Learning · Computer Science 2026-05-12 Nikhil Abhyankar , Parshin Shojaee , Chandan K. Reddy

Feature transformation aims to reconstruct the feature space of raw features to enhance the performance of downstream models. However, the exponential growth in the combinations of features and operations poses a challenge, making it…

Machine Learning · Computer Science 2024-12-19 Nanxu Gong , Chandan K. Reddy , Wangyang Ying , Haifeng Chen , Yanjie Fu

We present a benchmark for large language models designed to tackle one of the most knowledge-intensive tasks in data science: writing feature engineering code, which requires domain knowledge in addition to a deep understanding of the…

Computation and Language · Computer Science 2024-11-01 Michał Pietruszka , Łukasz Borchmann , Aleksander Jędrosz , Paweł Morawiecki

One of the key tasks in machine learning for tabular data is feature engineering. Although it is vital for improving the performance of models, it demands considerable human expertise and deep domain knowledge, making it labor-intensive…

Computation and Language · Computer Science 2025-04-01 Jeonghyun Ko , Gyeongyun Park , Donghoon Lee , Kyunam Lee

Crafting effective features is a crucial yet labor-intensive and domain-specific task within machine learning pipelines. Fortunately, recent advancements in Large Language Models (LLMs) have shown promise in automating various data science…

Computation and Language · Computer Science 2024-10-18 Yanlin Zhang , Ning Li , Quan Gan , Weinan Zhang , David Wipf , Minjie Wang

Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

Computation and Language · Computer Science 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

We introduce LLM-Lasso, a novel framework that leverages large language models (LLMs) to guide feature selection in Lasso $\ell_1$ regression. Unlike traditional methods that rely solely on numerical data, LLM-Lasso incorporates…

Domain-specific knowledge can significantly contribute to addressing a wide variety of vision tasks. However, the generation of such knowledge entails considerable human labor and time costs. This study investigates the potential of Large…

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…

Computation and Language · Computer Science 2025-03-21 Dharani Chandra

With the rise of large language models (LLMs) for flexibly processing information as strings, a natural application is regression, specifically by preprocessing string representations into LLM embeddings as downstream features for metric…

Machine Learning · Computer Science 2025-02-18 Eric Tang , Bangding Yang , Xingyou Song

Large language models (LLMs) have revolutionized algorithm development, yet their application in symbolic regression, where algorithms automatically discover symbolic expressions from data, remains limited. In this paper, we propose a…

Neural and Evolutionary Computing · Computer Science 2026-04-01 Hengzhe Zhang , Qi Chen , Bing Xue , Wolfgang Banzhaf , Mengjie Zhang

This paper presents a study on the integration of domain-specific knowledge in prompt engineering to enhance the performance of large language models (LLMs) in scientific domains. A benchmark dataset is curated to encapsulate the intricate…

Computation and Language · Computer Science 2024-04-24 Hongxuan Liu , Haoyu Yin , Zhiyao Luo , Xiaonan Wang

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

The advent of Large Language Models (LLMs) has opened new frontiers in automated algorithm design, giving rise to numerous powerful methods. However, these approaches retain critical limitations: they require extensive evaluation of the…

Neural and Evolutionary Computing · Computer Science 2026-02-05 Haoran Yin , Shuaiqun Pan , Zhao Wei , Jian Cheng Wong , Yew-Soon Ong , Anna V. Kononova , Thomas Bäck , Niki van Stein

Large language models (LLMs) often exhibit limited performance on domain-specific tasks due to the natural disproportionate representation of specialized information in their training data and the static nature of these datasets. Knowledge…

Computation and Language · Computer Science 2025-09-30 Chaojun Nie , Jun Zhou , Guanxiang Wang , Shisong Wu , Zichen Wang

Large Language Models (LLMs) have demonstrated remarkable success in various tasks such as natural language understanding, text summarization, and machine translation. However, their general-purpose nature often limits their effectiveness…

Computation and Language · Computer Science 2025-09-03 Zirui Song , Bin Yan , Yuhan Liu , Miao Fang , Mingzhe Li , Rui Yan , Xiuying Chen

Large language models (LLMs) such as ChatGPT have shown remarkable capabilities in code generation. Despite significant achievements, they rely on enormous training data to acquire a broad spectrum of open-domain knowledge. Besides, their…

Software Engineering · Computer Science 2025-02-18 Xiaodong Gu , Meng Chen , Yalan Lin , Yuhan Hu , Hongyu Zhang , Chengcheng Wan , Zhao Wei , Yong Xu , Juhong Wang

Monitoring Machine Learning (ML) models in production environments is crucial, yet traditional approaches often yield verbose, low-interpretability outputs that hinder effective decision-making. We propose a cognitive architecture for ML…

Machine Learning · Computer Science 2025-06-12 Gusseppe Bravo-Rocca , Peini Liu , Jordi Guitart , Rodrigo M Carrillo-Larco , Ajay Dholakia , David Ellison

Although Large Language Models (LLMs) exhibit remarkable adaptability across domains, these models often fall short in structured knowledge extraction tasks such as named entity recognition (NER). This paper explores an innovative,…

Computation and Language · Computer Science 2024-06-11 Yuzhao Heng , Chunyuan Deng , Yitong Li , Yue Yu , Yinghao Li , Rongzhi Zhang , Chao Zhang
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