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Causal discovery aims to identify causal relationships between variables and is a fundamental problem across the sciences. Traditional statistical causal discovery (SCD) methods rely solely on observational data and ignore the contextual…

Artificial Intelligence · Computer Science 2026-05-27 Hao Duong Le , Xin Xia , Haijie Xu , Chen Zhang

Uncovering cause-and-effect mechanisms from data is fundamental to scientific progress. While large language models (LLMs) show promise for enhancing causal discovery (CD) from unstructured data, their application to the increasingly…

Machine Learning · Computer Science 2025-10-31 Jin Li , Shoujin Wang , Qi Zhang , Feng Liu , Tongliang Liu , Longbing Cao , Shui Yu , Fang Chen

Large Language Models (LLMs) show promise in biomedicine but lack true causal understanding, relying instead on correlations. This paper envisions causal LLM agents that integrate multimodal data (text, images, genomics, etc.) and perform…

Artificial Intelligence · Computer Science 2025-05-23 Adib Bazgir , Amir Habibdoust Lafmajani , Yuwen Zhang

Large Language Models (LLMs) have demonstrated remarkable capabilities in various reasoning and generation tasks. However, their proficiency in complex causal reasoning, discovery, and estimation remains an area of active development, often…

Artificial Intelligence · Computer Science 2025-09-03 Adib Bazgir , Amir Habibdoust , Yuwen Zhang , Xing Song

Estimating individualized treatment effects from observational data presents a persistent challenge due to unmeasured confounding and structural bias. Causal Machine Learning (causal ML) methods, such as causal trees and doubly robust…

Machine Learning · Computer Science 2025-08-12 Po-Han Lee , Yu-Cheng Lin , Chan-Tung Ku , Chan Hsu , Pei-Cing Huang , Ping-Hsun Wu , Yihuang Kang

Causal discovery (CD) and Large Language Models (LLMs) have emerged as transformative fields in artificial intelligence that have evolved largely independently. While CD specializes in uncovering cause-effect relationships from data, and…

Computation and Language · Computer Science 2025-02-18 Guangya Wan , Yunsheng Lu , Yuqi Wu , Mengxuan Hu , Sheng Li

Recovering the structure of causal graphical models from observational data is an essential yet challenging task for causal discovery in scientific scenarios. Domain-specific causal discovery usually relies on expert validation or prior…

Artificial Intelligence · Computer Science 2025-08-27 Taiyu Ban , Lyuzhou Chen , Derui Lyu , Xiangyu Wang , Qinrui Zhu , Qiang Tu , Huanhuan Chen

As the significance of understanding the cause-and-effect relationships among variables increases in the development of modern systems and algorithms, learning causality from observational data has become a preferred and efficient approach…

Machine Learning · Computer Science 2024-11-28 Xiaoxuan Li , Yao Liu , Ruoyu Wang , Lina Yao

The large language model (LLM) has achieved significant success across various domains. However, the inherent complexity of causal problems and causal theory poses challenges in accurately describing them in natural language, making it…

Artificial Intelligence · Computer Science 2025-10-15 Kairong Han , Kun Kuang , Ziyu Zhao , Junjian Ye , Fei Wu

Causal discovery traditionally relies on statistical methods applied to observational data, often requiring large datasets and assumptions about underlying causal structures. Recent advancements in Large Language Models (LLMs) have…

Machine Learning · Computer Science 2025-04-16 Yuni Susanti , Michael Färber

Large language models (LLMs) have demonstrated notable potential in medical applications, yet they face substantial challenges in handling complex real-world clinical diagnoses using conventional prompting methods. Current prompt…

Artificial Intelligence · Computer Science 2026-03-02 Wenliang Li , Rui Yan , Xu Zhang , Li Chen , Hongji Zhu , Jing Zhao , Junjun Li , Mengru Li , Wei Cao , Zihang Jiang , Wei Wei , Kun Zhang , Shaohua Kevin Zhou

Recent advances in large language models (LLMs) have shown great potential to accelerate drug discovery. However, the specialized nature of biochemical data often necessitates costly domain-specific fine-tuning, posing major challenges.…

Machine Learning · Computer Science 2025-11-17 Namkyeong Lee , Edward De Brouwer , Ehsan Hajiramezanali , Tommaso Biancalani , Chanyoung Park , Gabriele Scalia

Revealing hidden causal variables alongside the underlying causal mechanisms is essential to the development of science. Despite the progress in the past decades, existing practice in causal discovery (CD) heavily relies on high-quality…

Machine Learning · Computer Science 2025-10-14 Chenxi Liu , Yongqiang Chen , Tongliang Liu , Mingming Gong , James Cheng , Bo Han , Kun Zhang

Causality is essential for understanding complex systems, such as the economy, the brain, and the climate. Constructing causal graphs often relies on either data-driven or expert-driven approaches, both fraught with challenges. The former…

Artificial Intelligence · Computer Science 2024-06-12 Kai-Hendrik Cohrs , Gherardo Varando , Emiliano Diaz , Vasileios Sitokonstantinou , Gustau Camps-Valls

Recent advancements in medical Large Language Models (LLMs) have showcased their powerful reasoning and diagnostic capabilities. Despite their success, current unified multimodal medical LLMs face limitations in knowledge update costs,…

Computation and Language · Computer Science 2025-06-25 Yucheng Zhou , Lingran Song , Jianbing Shen

Hit identification is a central challenge in early drug discovery, traditionally requiring substantial experimental resources. Recent advances in artificial intelligence, particularly large language models (LLMs), have enabled virtual…

Large language model (LLM) agents-especially smaller, open-source models-often produce causally invalid or incoherent actions in collaborative tasks due to their reliance on surface-level correlations rather than grounded causal reasoning.…

Artificial Intelligence · Computer Science 2025-08-20 Minh Hoang Nguyen , Van Dai Do , Dung Nguyen , Thin Nguyen , Hung Le

Revealing the underlying causal mechanisms in the real world is crucial for scientific and technological progress. Despite notable advances in recent decades, the lack of high-quality data and the reliance of traditional causal discovery…

Machine Learning · Computer Science 2026-02-17 Huaming Du , Tao Hu , Yijie Huang , Yu Zhao , Guisong Liu , Tao Gu , Gang Kou , Carl Yang

The discovery of causal relationships between random variables is an important yet challenging problem that has applications across many scientific domains. Differentiable causal discovery (DCD) methods are effective in uncovering causal…

Machine Learning · Computer Science 2024-10-29 Shiv Kampani , David Hidary , Constantijn van der Poel , Martin Ganahl , Brenda Miao

We present DMCD (DataMap Causal Discovery), a two-phase causal discovery framework that integrates LLM-based semantic drafting from variable metadata with statistical validation on observational data. In Phase I, a large language model…

Artificial Intelligence · Computer Science 2026-02-25 Samarth KaPatel , Sofia Nikiforova , Giacinto Paolo Saggese , Paul Smith
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