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To perform effective causal inference in high-dimensional datasets, initiating the process with causal discovery is imperative, wherein a causal graph is generated based on observational data. However, obtaining a complete and accurate…

Machine Learning · Computer Science 2025-04-18 Elahe Khatibi , Mahyar Abbasian , Zhongqi Yang , Iman Azimi , Amir M. Rahmani

Medical Decision-Making (MDM) is a multi-faceted process that requires clinicians to assess complex multi-modal patient data patient, often collaboratively. Large Language Models (LLMs) promise to streamline this process by synthesizing…

Recent advancements in Large Language Models (LLMs) and related technologies such as Retrieval-Augmented Generation (RAG) and Diagram of Thought (DoT) have enabled the creation of autonomous intelligent systems capable of performing cluster…

Artificial Intelligence · Computer Science 2024-11-11 Honghao Shi , Longkai Cheng , Wenli Wu , Yuhang Wang , Xuan Liu , Shaokai Nie , Weixv Wang , Xuebin Min , Chunlei Men , Yonghua Lin

This paper introduces a causal attribution model to enhance the interpretability of large language models (LLMs) and improve their causal reasoning abilities via precise fine-tuning. Despite LLMs' proficiency in diverse tasks, their…

Artificial Intelligence · Computer Science 2026-05-22 Hengrui Cai , Shengjie Liu , Rui Song

Large Language Model (LLM)-based recommendation systems have demonstrated remarkable capabilities in understanding user preferences and generating personalized suggestions. However, existing approaches face critical challenges in…

Information Retrieval · Computer Science 2026-04-24 Sushant Mehta

Multi-agent systems (MAS) powered by large language models (LLMs) hold significant promise for solving complex decision-making tasks. However, the core process of collaborative decision-making (CDM) within these systems remains…

Artificial Intelligence · Computer Science 2025-08-19 Xuyang Zhao , Shiwan Zhao , Hualong Yu , Liting Zhang , Qicheng Li

Advances in large language models (LLMs) have recently opened new and promising avenues for small-molecule drug discovery. Yet existing LLM-based approaches for molecular generation often suffer from high rates of invalid and low-quality…

Machine Learning · Computer Science 2026-05-15 Andrew Y. Zhou , Sharvaree Vadgama , Sumanth Varambally , Peter Eckmann , Michael K. Gilson , Rose Yu

Large language model (LLM) development is currently driven by large-scale empirical iteration over data mixtures, reward models, routing strategies, and evaluation pipelines. Here, we argue that many central questions in LLM development and…

This study investigates the efficacy of Large Language Models (LLMs) in causal discovery. Using newly available open-source LLMs, OLMo and BLOOM, which provide access to their pre-training corpora, we investigate how LLMs address causal…

Computation and Language · Computer Science 2025-10-13 Tao Feng , Lizhen Qu , Niket Tandon , Zhuang Li , Xiaoxi Kang , Gholamreza Haffari

Large language models (LLMs) have shown great potential in decision-making due to the vast amount of knowledge stored within the models. However, these pre-trained models are prone to lack reasoning abilities and are difficult to adapt to…

Machine Learning · Computer Science 2025-06-02 Wei Chen , Jiahao Zhang , Haipeng Zhu , Boyan Xu , Zhifeng Hao , Keli Zhang , Junjian Ye , Ruichu Cai

Causal discovery (CD) plays a pivotal role in numerous scientific fields by clarifying the causal relationships that underlie phenomena observed in diverse disciplines. Despite significant advancements in CD algorithms that enhance bias and…

Machine Learning · Computer Science 2025-03-25 Khadija Zanna , Akane Sano

In practical statistical causal discovery (SCD), embedding domain expert knowledge as constraints into the algorithm is important for reasonable causal models reflecting the broad knowledge of domain experts, despite the challenges in the…

Machine Learning · Computer Science 2025-05-13 Masayuki Takayama , Tadahisa Okuda , Thong Pham , Tatsuyoshi Ikenoue , Shingo Fukuma , Shohei Shimizu , Akiyoshi Sannai

Computing has long served as a cornerstone of scientific discovery. Recently, a paradigm shift has emerged with the rise of large language models (LLMs), introducing autonomous systems, referred to as agents, that accelerate discovery…

Causal inference has shown potential in enhancing the predictive accuracy, fairness, robustness, and explainability of Natural Language Processing (NLP) models by capturing causal relationships among variables. The emergence of generative…

Computation and Language · Computer Science 2025-03-24 Xiaoyu Liu , Paiheng Xu , Junda Wu , Jiaxin Yuan , Yifan Yang , Yuhang Zhou , Fuxiao Liu , Tianrui Guan , Haoliang Wang , Tong Yu , Julian McAuley , Wei Ai , Furong Huang

We introduce a multicrossmodal LLM-agent framework motivated by the growing volume and diversity of materials-science data ranging from high-resolution microscopy and dynamic simulation videos to tabular experiment logs and sprawling…

Materials Science · Physics 2025-05-22 Adib Bazgir , Rama chandra Praneeth Madugula , Yuwen Zhang

Large language models (LLMs) have achieved superior performance in powering text-based AI agents, endowing them with decision-making and reasoning abilities akin to humans. Concurrently, there is an emerging research trend focused on…

Computer Vision and Pattern Recognition · Computer Science 2024-02-26 Junlin Xie , Zhihong Chen , Ruifei Zhang , Xiang Wan , Guanbin Li

We introduce Agentic Reasoning, a framework that enhances large language model (LLM) reasoning by integrating external tool-using agents. Agentic Reasoning dynamically leverages web search, code execution, and structured memory to address…

Artificial Intelligence · Computer Science 2025-07-16 Junde Wu , Jiayuan Zhu , Yuyuan Liu , Min Xu , Yueming Jin

Large Language Models (LLMs), enhanced through agent tuning, have demonstrated remarkable capabilities in Chain-of-Thought (CoT) and tool utilization, significantly surpassing the performance of standalone models. However, the multimodal…

Computer Vision and Pattern Recognition · Computer Science 2025-07-30 Tianhong Gao , Yannian Fu , Weiqun Wu , Haixiao Yue , Shanshan Liu , Gang Zhang

Large language models (LLMs) have shown various ability on natural language processing, including problems about causality. It is not intuitive for LLMs to command causality, since pretrained models usually work on statistical associations,…

Computation and Language · Computer Science 2024-08-27 Chenyang Zhang , Haibo Tong , Bin Zhang , Dongyu Zhang

Designing proper experiments and selecting optimal intervention targets is a longstanding problem in scientific or causal discovery. Identifying the underlying causal structure from observational data alone is inherently difficult.…

Artificial Intelligence · Computer Science 2025-03-05 Junyi Li , Yongqiang Chen , Chenxi Liu , Qianyi Cai , Tongliang Liu , Bo Han , Kun Zhang , Hui Xiong