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Artificial intelligence systems, particularly large language models (LLMs), are increasingly being employed in high-stakes decisions that impact both individuals and society at large, often without adequate safeguards to ensure safety,…

Artificial Intelligence · Computer Science 2024-06-24 N. Zöller , J. Berger , I. Lin , N. Fu , J. Komarneni , G. Barabucci , K. Laskowski , V. Shia , B. Harack , E. A. Chu , V. Trianni , R. H. J. M. Kurvers , S. M. Herzog

Global healthcare providers are exploring use of large language models (LLMs) to provide medical advice to the public. LLMs now achieve nearly perfect scores on medical licensing exams, but this does not necessarily translate to accurate…

Large Language Models (LLMs) have shown remarkable capabilities as autonomous agents, yet existing benchmarks either focus on single-agent tasks or are confined to narrow domains, failing to capture the dynamics of multi-agent coordination…

Multiagent Systems · Computer Science 2025-03-05 Kunlun Zhu , Hongyi Du , Zhaochen Hong , Xiaocheng Yang , Shuyi Guo , Zhe Wang , Zhenhailong Wang , Cheng Qian , Xiangru Tang , Heng Ji , Jiaxuan You

Humans increasingly rely on large language models (LLMs) to support decisions in social settings. Previous work suggests that such tools shape people's moral and political judgements. However, the long-term implications of LLM-based social…

Physics and Society · Physics 2025-07-02 Alexandre S. Pires , Laurens Samson , Sennay Ghebreab , Fernando P. Santos

Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining of LLMs on extensive web-based texts remains insufficient…

Chemical Physics · Physics 2024-12-31 Yang Han , Ziping Wan , Lu Chen , Kai Yu , Xin Chen

Deciding which large language model (LLM) to use is a complex challenge. Pairwise ranking has emerged as a new method for evaluating human preferences for LLMs. This approach entails humans evaluating pairs of model outputs based on a…

Computation and Language · Computer Science 2025-02-18 Roland Daynauth , Christopher Clarke , Krisztian Flautner , Lingjia Tang , Jason Mars

Chemical language models (CLMs) have emerged as promising competitors to popular classical machine learning models for molecular property prediction (MPP) tasks. However, an increasing number of studies have reported inconsistent and…

Machine Learning · Computer Science 2026-03-17 Mohammad Mostafanejad , Paul Saxe , T. Daniel Crawford

LLMs are increasingly used to make or support high-stakes decisions under uncertainty, where alignment depends not only on factual accuracy but on how models weigh tradeoffs between different outcomes. We present an empirical pipeline for…

Machine Learning · Computer Science 2026-05-12 Khurram Yamin , Jingjing Tang , Eric Horvitz , Bryan Wilder

Predicting chemical reactions, a fundamental challenge in chemistry, involves forecasting the resulting products from a given reaction process. Conventional techniques, notably those employing Graph Neural Networks (GNNs), are often limited…

Machine Learning · Computer Science 2023-10-23 Yaorui Shi , An Zhang , Enzhi Zhang , Zhiyuan Liu , Xiang Wang

Recently, multi-Large Language Model (LLM) frameworks have been proposed to solve contextualized tasks. However, these frameworks do not explicitly emulate human team role division, which may lead to a single perspective, thereby weakening…

Computation and Language · Computer Science 2026-04-09 Xiangyu Wang , Jin Wu , Haoran Shi , Wei Xia , Jiarui Yu , Chanjin Zheng

Recent advancements in tool learning have enabled large language models (LLMs) to integrate external tools, enhancing their task performance by expanding their knowledge boundaries. However, relying on tools often introduces tradeoffs…

Computation and Language · Computer Science 2025-03-11 Hongshen Xu , Zihan Wang , Zichen Zhu , Lei Pan , Xingyu Chen , Lu Chen , Kai Yu

The rapid adoption of LLMs in both research and industry highlights the challenges of deploying them safely and reveals a gap in the systematic evaluation of toxicity benchmarks. As organizations increasingly rely on these benchmarks to…

Artificial Intelligence · Computer Science 2026-05-12 Regina Gugg , Selina Niederländer , Andreas Stöckl , Martin Flechl

Large Language Models (LLMs) have demonstrated impressive performance across various tasks, with different models excelling in distinct domains and specific abilities. Effectively combining the predictions of multiple LLMs is crucial for…

Computation and Language · Computer Science 2025-08-01 Jizhou Guo

Large Language Models (LLMs) have increasingly been utilized in social simulations, where they are often guided by carefully crafted instructions to stably exhibit human-like behaviors during simulations. Nevertheless, we doubt the…

Artificial Intelligence · Computer Science 2024-10-29 Zengqing Wu , Run Peng , Shuyuan Zheng , Qianying Liu , Xu Han , Brian Inhyuk Kwon , Makoto Onizuka , Shaojie Tang , Chuan Xiao

Recommending appropriate algorithms to a classification problem is one of the most challenging issues in the field of data mining. The existing algorithm recommendation models are generally constructed on only one kind of meta-features by…

Information Retrieval · Computer Science 2021-06-08 Guangtao Wang , Qinbao Song , Xiaoyan Zhu

Large Language Models (LLMs) have the potential to semi-automate some process mining (PM) analyses. While commercial models are already adequate for many analytics tasks, the competitive level of open-source LLMs in PM tasks is unknown. In…

Computation and Language · Computer Science 2024-07-19 Alessandro Berti , Humam Kourani , Wil M. P. van der Aalst

Recent advances in LLMs have greatly improved general-domain NLP tasks. Yet, their adoption in critical domains, such as clinical trial recruitment, remains limited. As trials are designed in natural language and patient data is represented…

Computation and Language · Computer Science 2026-01-01 Shrestha Ghosh , Moritz Schneider , Carina Reinicke , Carsten Eickhoff

Understanding how interdisciplinary research teams converge on shared knowledge is a persistent challenge. This paper presents a novel, multi-layer, AI-driven analytical framework for mapping research convergence in interdisciplinary teams.…

Machine learning (ML) models have significantly impacted various domains in our everyday lives. While large language models (LLMs) offer intuitive interfaces and versatility, task-specific ML models remain valuable for their efficiency and…

Human-Computer Interaction · Computer Science 2024-12-04 Wataru Kawabe , Yusuke Sugano

Large Language Models (LLMs) based agent systems have made great strides in real-world applications beyond traditional NLP tasks. This paper proposes a new LLM-based Multi-Agent System (LLM-MAS) benchmark, Collab-Overcooked, built on the…

Computation and Language · Computer Science 2025-12-02 Haochen Sun , Shuwen Zhang , Lujie Niu , Lei Ren , Hao Xu , Hao Fu , Fangkun Zhao , Caixia Yuan , Xiaojie Wang
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