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Large Language Models (LLMs) are increasingly explored for legal argument generation, yet they pose significant risks of manipulation through hallucination and ungrounded persuasion, and often fail to utilize provided factual bases…

Artificial Intelligence · Computer Science 2025-10-27 Li Zhang , Kevin D. Ashley

Evaluating the scientific discovery capabilities of large language model based agents, particularly how they cope with varying environmental complexity and utilize prior knowledge, requires specialized benchmarks currently lacking in the…

Machine Learning · Computer Science 2025-10-28 Yimeng Chen , Piotr Piȩkos , Mateusz Ostaszewski , Firas Laakom , Jürgen Schmidhuber

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

With the development of artificial intelligence (AI), large language models (LLM) are widely used in many fields. However, the reasoning ability of LLM is still very limited when it comes to mathematical reasoning. Mathematics plays an…

Computation and Language · Computer Science 2024-08-06 Wenbei Xie , Donglin Liu , Haoran Yan , Wenjie Wu , Zongyang Liu

Large Language Models (LLMs) have demonstrated impressive performance across diverse domains, yet they still encounter challenges such as insufficient domain-specific knowledge, biases, and hallucinations. This underscores the need for…

Computation and Language · Computer Science 2025-04-07 Hongliu Cao , Ilias Driouich , Robin Singh , Eoin Thomas

Materials design often relies on human-generated hypotheses, a process inherently limited by cognitive constraints such as knowledge gaps and limited ability to integrate and extract knowledge implications, particularly when…

Scientific discovery is slowed by fragmented literature that requires excessive human effort to gather, analyze, and understand. AI tools, including autonomous summarization and question answering, have been developed to aid in…

Artificial Intelligence · Computer Science 2026-04-03 Maxwell J. Jacobson , Daniel Xie , Jackson Shen , Adil Wazeer , Haiyan Wang , Xinghang Zhang , Yexiang Xue

Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback…

Machine Learning · Computer Science 2024-05-17 Pingchuan Ma , Tsun-Hsuan Wang , Minghao Guo , Zhiqing Sun , Joshua B. Tenenbaum , Daniela Rus , Chuang Gan , Wojciech Matusik

Large Language Models (LLMs) have achieved impressive results in knowledge-based Visual Question Answering (VQA). However existing methods still have challenges: the inability to use external tools autonomously, and the inability to work in…

Computation and Language · Computer Science 2025-08-08 Zhongjian Hu , Peng Yang , Bing Li , Zhenqi Wang

Decision conferences are structured, collaborative meetings that bring together experts from various fields to address complex issues and reach a consensus on recommendations for future actions or policies. These conferences often rely on…

Computation and Language · Computer Science 2025-07-14 Selina Heller , Mohamed Ibrahim , David Antony Selby , Sebastian Vollmer

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

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…

In this paper, we present a novel framework for enhancing the capabilities of large language models (LLMs) by leveraging the power of multi-agent systems. Our framework introduces a collaborative environment where multiple intelligent agent…

Artificial Intelligence · Computer Science 2023-06-07 Yashar Talebirad , Amirhossein Nadiri

The integration of experimental technologies with large language models (LLMs) is transforming scientific research. It positions AI as a versatile research assistant rather than a mere problem-solving tool. In the field of power systems,…

Computation and Language · Computer Science 2025-05-20 Mengshuo Jia , Zeyu Cui , Gabriela Hug

Automated characterization of porous materials has the potential to accelerate materials discovery, but it remains limited by the complexity of simulation setup and force field selection. We propose a multi-agent framework in which…

Artificial Intelligence · Computer Science 2025-09-15 Marko Petković , Vlado Menkovski , Sofía Calero

Chemical synthesis, as a foundational methodology in the creation of transformative molecules, exerts substantial influence across diverse sectors from life sciences to materials and energy. Current chemical synthesis practices emphasize…

This paper introduces a Large Language Model (LLM)-based multi-agent framework designed to enhance anomaly detection within financial market data, tackling the longstanding challenge of manually verifying system-generated anomaly alerts.…

Risk Management · Quantitative Finance 2024-04-01 Taejin Park

In dynamic open-world environments, autonomous agents often encounter novelties that hinder their ability to find plans to achieve their goals. Specifically, traditional symbolic planners fail to generate plans when the robot's planning…

Robotics · Computer Science 2026-03-13 Hong Lu , Pierrick Lorang , Timothy R. Duggan , Jivko Sinapov , Matthias Scheutz

As LLM-based agents increasingly operate in high-stakes domains with real-world consequences, ensuring their behavioral safety becomes paramount. The dominant oversight paradigm, LLM-as-a-Judge, faces a fundamental dilemma: how can…

Artificial Intelligence · Computer Science 2026-02-13 Jiayi Zhou , Yang Sheng , Hantao Lou , Yaodong Yang , Jie Fu

Automatic search for Multi-Agent Systems has recently emerged as a key focus in agentic AI research. Several prior approaches have relied on LLM-based free-form search over the code space. In this work, we propose a more structured…