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Parsing chemical reaction diagrams from scientific literature is challenging due to heterogeneous layouts, intertwined visual elements, and the difficulty of integrating recognition and reasoning. Existing vision-language models advance…

Artificial Intelligence · Computer Science 2026-05-28 Chuang Tang , Chenhao Lin , Yin Xu , Hao Wang , Jinrui Zhou , Xin Li , Mingjun Xiao , Enhong Chen

Code repair is a fundamental task in software development, facilitating efficient bug resolution and software maintenance. Although large language models (LLMs) have demonstrated considerable potential in automated code repair, their…

Software Engineering · Computer Science 2026-02-27 Dekun Dai , MingWei Liu , Anji Li , Jialun Cao , Yanlin Wang , Chong Wang , Xin Peng , Zibin Zheng

The development of plans of action in disaster response scenarios is a time-consuming process. Large Language Models (LLMs) offer a powerful solution to expedite this process through in-context learning. This study presents…

Machine Learning · Computer Science 2023-07-03 Vinicius G. Goecks , Nicholas R. Waytowich

Multimodal Large Language Models are increasingly adopted as autonomous agents in interactive environments, yet their ability to proactively address safety hazards remains insufficient. We introduce SafetyALFRED, built upon the embodied…

Artificial Intelligence · Computer Science 2026-04-22 Josue Torres-Fonseca , Naihao Deng , Yinpei Dai , Shane Storks , Yichi Zhang , Rada Mihalcea , Casey Kennington , Joyce Chai

Large language models produce human-like text that drive a growing number of applications. However, recent literature and, increasingly, real world observations, have demonstrated that these models can generate language that is toxic,…

Large language models (LLMs) show promise in clinical decision support yet risk acquiescing to patient pressure for inappropriate care. We introduce SycoEval-EM, a multi-agent simulation framework evaluating LLM robustness through…

Artificial Intelligence · Computer Science 2026-03-05 Dongshen Peng , Yi Wang , Austin Schoeffler , Carl Preiksaitis , Christian Rose

Large Language Models (LLMs) are acquiring a wider range of capabilities, including understanding and responding in multiple languages. While they undergo safety training to prevent them from answering illegal questions, imbalances in…

Computation and Language · Computer Science 2025-03-18 Likai Tang , Niruth Bogahawatta , Yasod Ginige , Jiarui Xu , Shixuan Sun , Surangika Ranathunga , Suranga Seneviratne

The development of chemical engineering technology is a multi-stage process that encompasses laboratory research, scaling up, and industrial deployment. This process demands interdisciplinary col laboration and typically incurs significant…

Chemical Physics · Physics 2025-09-10 Heng Zhang , Jibin Zhou , Feiyang Xu , Jian Cui , Yi Li , Fan Yang , Hao Wang , Xin Li , Mao Ye

As large language models (LLMs) see wider real-world use, understanding and mitigating their unsafe behaviors is critical. Interpretation techniques can reveal causes of unsafe outputs and guide safety, but such connections with safety are…

Software Engineering · Computer Science 2025-06-09 Seongmin Lee , Aeree Cho , Grace C. Kim , ShengYun Peng , Mansi Phute , Duen Horng Chau

Traffic scene understanding is essential for intelligent transportation systems and autonomous driving, ensuring safe and efficient vehicle operation. While recent advancements in VLMs have shown promise for holistic scene understanding,…

Computer Vision and Pattern Recognition · Computer Science 2025-03-24 Qingyao Xu , Siheng Chen , Guang Chen , Yanfeng Wang , Ya Zhang

We use prompt engineering to guide ChatGPT in the automation of text mining of metal-organic frameworks (MOFs) synthesis conditions from diverse formats and styles of the scientific literature. This effectively mitigates ChatGPT's tendency…

Information Retrieval · Computer Science 2023-10-04 Zhiling Zheng , Oufan Zhang , Christian Borgs , Jennifer T. Chayes , Omar M. Yaghi

Large language models (LLMs), such as ChatGPT, are prone to generate hallucinations, i.e., content that conflicts with the source or cannot be verified by the factual knowledge. To understand what types of content and to which extent LLMs…

Computation and Language · Computer Science 2023-10-24 Junyi Li , Xiaoxue Cheng , Wayne Xin Zhao , Jian-Yun Nie , Ji-Rong Wen

In chemical analysis made by laboratories one has the problem of determining the concentration of a chemical element in a sample. In order to tackle this problem the guide EURACHEM/CITAC recommends the application of the linear calibration…

Applications · Statistics 2008-03-19 Betsabé G. Blas Achic , Mônica C. Sandoval

As Large Language Models (LLMs) rise in popularity, it is necessary to assess their capability in critically relevant domains. We present a comprehensive evaluation framework, grounded in science communication research, to assess LLM…

As language model agents are applied to real world problems of increasing complexity, they will be expected to formulate plans across large search spaces. If those plans fail for reasons beyond their control, how well do language agents…

Computation and Language · Computer Science 2025-08-18 Andrew Wang , Sophia Hager , Adi Asija , Daniel Khashabi , Nicholas Andrews

Changes and updates in the requirement artifacts, which can be frequent in the automotive domain, are a challenge for SafetyOps. Large Language Models (LLMs), with their impressive natural language understanding and generating capabilities,…

Artificial Intelligence · Computer Science 2024-03-26 Ali Nouri , Beatriz Cabrero-Daniel , Fredrik Törner , Hȧkan Sivencrona , Christian Berger

Emergency management urgently requires comprehensive knowledge while having a high possibility to go beyond individuals' cognitive scope. Therefore, artificial intelligence(AI) supported decision-making under that circumstance is of vital…

Computation and Language · Computer Science 2023-11-16 Minze Chen , Zhenxiang Tao , Weitong Tang , Tingxin Qin , Rui Yang , Chunli Zhu

In this paper, we present our approach to extracting structured information from unstructured Electronic Health Records (EHR) [2] which can be used to, for example, study adverse drug reactions in patients due to chemicals in their…

Computation and Language · Computer Science 2020-01-30 Amogh Kamat Tarcar , Aashis Tiwari , Vineet Naique Dhaimodker , Penjo Rebelo , Rahul Desai , Dattaraj Rao

Language model outputs are not always reliable, thus prompting research into how to adapt model responses based on uncertainty. Common approaches include: \emph{abstention}, where models refrain from generating responses when uncertain; and…

Computation and Language · Computer Science 2025-08-13 Zhengping Jiang , Anqi Liu , Benjamin Van Durme

Prediction of complete step-by-step chemical reaction mechanisms (CRMs) remains a major challenge. Whereas the traditional approaches in CRM tasks rely on expert-driven experiments or costly quantum chemical computations, contemporary deep…

Chemical Physics · Physics 2025-12-11 Manajit Das , Ajnabiul Hoque , Mayank Baranwal , Raghavan B. Sunoj
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