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Retrieval-Augmented Generation (RAG) systems in chemistry heavily depend on accurate and relevant retrieval of chemical literature. However, general-purpose text embedding models frequently fail to adequately represent complex chemical…

Language models (LMs) as conversational assistants recently became popular tools that help people accomplish a variety of tasks. These typically result from adapting LMs pretrained on general domain text sequences through further…

Computation and Language · Computer Science 2024-05-16 Milan Gritta , Gerasimos Lampouras , Ignacio Iacobacci

Psychological support hotlines serve as critical lifelines for crisis intervention but encounter significant challenges due to rising demand and limited resources. Large language models (LLMs) offer potential support in crisis assessments,…

Computation and Language · Computer Science 2025-12-19 Guifeng Deng , Shuyin Rao , Tianyu Lin , Anlu Dai , Pan Wang , Junyi Xie , Haidong Song , Ke Zhao , Dongwu Xu , Zhengdong Cheng , Tao Li , Haiteng Jiang

The development of AI-assisted chemical synthesis tools requires comprehensive datasets covering diverse reaction types, yet current high-throughput experimental (HTE) approaches are expensive and limited in scope. Chemical literature…

Information Retrieval · Computer Science 2025-07-01 Kexin Chen , Yuyang Du , Junyou Li , Hanqun Cao , Menghao Guo , Xilin Dang , Lanqing Li , Jiezhong Qiu , Pheng Ann Heng , Guangyong Chen

The integration of Multimodal Large Language Models (MLLMs) into chemistry promises to revolutionize scientific discovery, yet their ability to comprehend the dense, graphical language of reactions within authentic literature remains…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Hanzheng Li , Xi Fang , Yixuan Li , Chaozheng Huang , Junjie Wang , Xi Wang , Hongzhe Bai , Bojun Hao , Shenyu Lin , Huiqi Liang , Linfeng Zhang , Guolin Ke

There is a growing interest in the role that LLMs play in chemistry which lead to an increased focus on the development of LLMs benchmarks tailored to chemical domains to assess the performance of LLMs across a spectrum of chemical tasks…

Recent advances in high-fidelity virtual environments serve as one of the major driving forces for building intelligent embodied agents to perceive, reason and interact with the physical world. Typically, these environments remain unchanged…

Computer Vision and Pattern Recognition · Computer Science 2024-01-24 Qinhong Zhou , Sunli Chen , Yisong Wang , Haozhe Xu , Weihua Du , Hongxin Zhang , Yilun Du , Joshua B. Tenenbaum , Chuang Gan

Chemical language models (CLMs) are prominent for their effectiveness in exploring chemical space and enabling molecular engineering. However, while exploring chemical-linguistic space, CLMs suffer from the gap between natural language and…

Computational Engineering, Finance, and Science · Computer Science 2025-01-07 Liuzhenghao Lv , Hao Li , Yu Wang , Zhiyuan Yan , Zijun Chen , Zongying Lin , Li Yuan , Yonghong Tian

Large language models (LLMs) have become integral to our professional workflows and daily lives. Nevertheless, these machine companions of ours have a critical flaw: the huge amount of data which endows them with vast and diverse knowledge,…

Computation and Language · Computer Science 2024-05-21 Tinh Son Luong , Thanh-Thien Le , Linh Ngo Van , Thien Huu Nguyen

We introduce HAMLET, a holistic and automated framework for evaluating the long-context comprehension of large language models (LLMs). HAMLET structures source texts into a three-level key-fact hierarchy at root-, branch-, and leaf-levels,…

Computation and Language · Computer Science 2025-08-28 Jiaqi Deng , Yuho Lee , Nicole Hee-Yeon Kim , Hyangsuk Min , Taewon Yun , Minjeong Ban , Kim Yul , Hwanjun Song

Expert curation is essential to capture knowledge of enzyme functions from the scientific literature in FAIR open knowledgebases but cannot keep pace with the rate of new discoveries and new publications. In this work we present EnzChemRED,…

Question Answering (QA) effectively evaluates language models' reasoning and knowledge depth. While QA datasets are plentiful in areas like general domain and biomedicine, academic chemistry is less explored. Chemical QA plays a crucial…

Computation and Language · Computer Science 2024-07-25 Xiuying Chen , Tairan Wang , Taicheng Guo , Kehan Guo , Juexiao Zhou , Haoyang Li , Mingchen Zhuge , Jürgen Schmidhuber , Xin Gao , Xiangliang Zhang

Large language model-powered chatbots have transformed how people seek information, especially in high-stakes contexts like mental health. Despite their support capabilities, safe detection and response to crises such as suicidal ideation…

Computation and Language · Computer Science 2026-04-09 Adrian Arnaiz-Rodriguez , Miguel Baidal , Erik Derner , Jenn Layton Annable , Mark Ball , Mark Ince , Elvira Perez Vallejos , Nuria Oliver

The discovery of new catalysts is essential for the design of new and more efficient chemical processes in order to transition to a sustainable future. We introduce an AI-guided computational screening framework unifying linguistic…

The recent explosion in the capabilities of large language models has led to a wave of interest in how best to prompt a model to perform a given task. While it may be tempting to simply choose a prompt based on average performance on a…

Machine Learning · Computer Science 2024-03-29 Thomas P. Zollo , Todd Morrill , Zhun Deng , Jake C. Snell , Toniann Pitassi , Richard Zemel

Large Language Models (LLMs) are widely used across various scenarios due to their exceptional reasoning capabilities and natural language understanding. While LLMs demonstrate strong performance in tasks involving mathematics and coding,…

Artificial Intelligence · Computer Science 2025-06-03 Xinyi Liu , Lipeng Ma , Yixuan Li , Weidong Yang , Qingyuan Zhou , Jiayi Song , Shuhao Li , Ben Fei

As Large Language Models (LLMs) become integrated into daily life, they are increasingly used for personal queries, including Sexual and Reproductive Health (SRH), allowing users to chat anonymously without fear of judgment. However,…

Large language models (LLMs) have made impressive progress in chemistry applications. However, the community lacks an LLM specifically designed for chemistry. The main challenges are two-fold: firstly, most chemical data and scientific…

Emergency response management (ERM) is a challenge faced by communities across the globe. First responders must respond to various incidents, such as fires, traffic accidents, and medical emergencies. They must respond quickly to incidents…

Computers and Society · Computer Science 2023-06-21 Ayan Mukhopadhyay

With the rapid development of large language models (LLMs), assessing their performance on health-related inquiries has become increasingly essential. The use of these models in real-world contexts-where misinformation can lead to serious…

Computation and Language · Computer Science 2025-02-24 Chenlu Guo , Nuo Xu , Yi Chang , Yuan Wu