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Empowering large language models (LLMs) with chemical intelligence remains a challenge due to the scarcity of high-quality, domain-specific instruction-response datasets and the misalignment of existing synthetic data generation pipelines…

In recent years, large language models (LLMs) have been extensively utilized for behavioral modeling, for example, to automatically generate sequence diagrams. However, no overview of this work has been published yet. Such an overview will…

Software Engineering · Computer Science 2025-09-30 Muhammad Laiq

Large Language Models are versatile, general-purpose tools with a wide range of applications. Recently, the advent of "reasoning models" has led to substantial improvements in their abilities in advanced problem-solving domains such as…

Machine Learning · Computer Science 2025-07-14 Nicholas T. Runcie , Charlotte M. Deane , Fergus Imrie

Large language models (LLMs) are increasingly embedded in AI-based tutoring systems. Can they faithfully model novice reasoning and metacognitive judgments? Existing evaluations emphasize problem-solving accuracy, overlooking the fragmented…

Computation and Language · Computer Science 2026-05-12 Conrad Borchers , Jill-Jênn Vie , Roger Azevedo

Molecular property prediction has gained significant attention due to its transformative potential in multiple scientific disciplines. Conventionally, a molecule graph can be represented either as a graph-structured data or a SMILES text.…

Machine Learning · Computer Science 2023-07-17 Chen Qian , Huayi Tang , Zhirui Yang , Hong Liang , Yong Liu

Although Large Language Models (LLMs) have demonstrated strong ability, they are further supposed to be controlled and guided by in real-world scenarios to be safe, accurate, and intelligent. This demands the possession of capability of…

Computation and Language · Computer Science 2024-10-18 Wangtao Sun , Chenxiang Zhang , XueYou Zhang , Xuanqing Yu , Ziyang Huang , Pei Chen , Haotian Xu , Shizhu He , Jun Zhao , Kang Liu

There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and…

Large Language Models (LLMs), such as ChatGPT, have taken the world by storm and have passed certain forms of the Turing test. However, LLMs are not limited to human language and analyze sequential data, such as DNA, protein, and gene…

Genomics · Quantitative Biology 2024-01-08 Hilbert Yuen In Lam , Xing Er Ong , Marek Mutwil

Large Language Models (LLMs) have the potential to enhance Agent-Based Modeling by better representing complex interdependent cybersecurity systems, improving cybersecurity threat modeling and risk management. However, evaluating LLMs in…

Cryptography and Security · Computer Science 2024-06-12 Tam n. Nguyen

The rapid development of Large Language Models (LLMs) demonstrates remarkable multilingual capabilities in natural language processing, attracting global attention in both academia and industry. To mitigate potential discrimination and…

Computation and Language · Computer Science 2025-01-08 Kaiyu Huang , Fengran Mo , Xinyu Zhang , Hongliang Li , You Li , Yuanchi Zhang , Weijian Yi , Yulong Mao , Jinchen Liu , Yuzhuang Xu , Jinan Xu , Jian-Yun Nie , Yang Liu

Automated planning is concerned with developing efficient algorithms to generate plans or sequences of actions to achieve a specific goal in a given environment. Emerging Large Language Models (LLMs) can answer questions, write high-quality…

Large language models (LLMs) enable researchers to analyze text at unprecedented scale and minimal cost. Researchers can now revisit old questions and tackle novel ones with rich data. We provide an econometric framework for realizing this…

Econometrics · Economics 2025-12-08 Jens Ludwig , Sendhil Mullainathan , Ashesh Rambachan

Large Language Models (LLMs) have recently gained significant attention due to their remarkable capabilities in performing diverse tasks across various domains. However, a thorough evaluation of these models is crucial before deploying them…

This paper explores the potential of using Large Language Models (LLMs) to automate the evaluation of responses in medical Question and Answer (Q\&A) systems, a crucial form of Natural Language Processing. Traditionally, human evaluation…

Computation and Language · Computer Science 2024-09-04 Jack Krolik , Herprit Mahal , Feroz Ahmad , Gaurav Trivedi , Bahador Saket

Recently, computer scientists have developed large language models (LLMs) by training prediction models with large-scale language corpora and human reinforcements. The LLMs have become one promising way to implement artificial intelligence…

Computers and Society · Computer Science 2023-08-22 Hyemin Han

The process mining community has recently recognized the potential of large language models (LLMs) for tackling various process mining tasks. Initial studies report the capability of LLMs to support process analysis and even, to some…

Computation and Language · Computer Science 2024-07-03 Adrian Rebmann , Fabian David Schmidt , Goran Glavaš , Han van der Aa

While large language models (LLMs) like ChatGPT have shown impressive capabilities in Natural Language Processing (NLP) tasks, a systematic investigation of their potential in this field remains largely unexplored. This study aims to…

Computation and Language · Computer Science 2025-08-26 Libo Qin , Qiguang Chen , Xiachong Feng , Yang Wu , Yongheng Zhang , Yinghui Li , Min Li , Wanxiang Che , Philip S. Yu

Recent developments in large language models (LLMs) have shown promise in enhancing the capabilities of natural language processing (NLP). Despite these successes, there remains a dearth of research dedicated to the NLP problem-solving…

Computation and Language · Computer Science 2023-10-20 Linxin Song , Jieyu Zhang , Lechao Cheng , Pengyuan Zhou , Tianyi Zhou , Irene Li

Predicting enzymatic reactions is crucial for applications in biocatalysis, metabolic engineering, and drug discovery, yet it remains a complex and resource-intensive task. Large Language Models (LLMs) have recently demonstrated remarkable…

Artificial Intelligence · Computer Science 2025-05-12 Lorenzo Di Fruscia , Jana Marie Weber

Large Language Models (LLMs) have demonstrated remarkable capabilities across a wide range of general-domain tasks. However, their effectiveness in specialized fields, such as construction, remains underexplored. In this paper, we introduce…

Computation and Language · Computer Science 2025-08-25 Yanzhao Wu , Lufan Wang , Rui Liu