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Related papers: What can Large Language Models do in chemistry? A …

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Artificial intelligence (AI) has played an increasingly important role in chemical research. However, most models currently used in chemistry are specialist models that require training and tuning for specific tasks. A more generic and…

Computation and Language · Computer Science 2025-07-03 Zihan Zhao , Da Ma , Lu Chen , Liangtai Sun , Zihao Li , Yi Xia , Bo Chen , Hongshen Xu , Zichen Zhu , Su Zhu , Shuai Fan , Guodong Shen , Kai Yu , Xin Chen

Large Language Models (LLMs) have revolutionized the field of Natural Language Processing thanks to their ability to reuse knowledge acquired on massive text corpora on a wide variety of downstream tasks, with minimal (if any) tuning steps.…

Computation and Language · Computer Science 2024-07-12 Flavio Petruzzellis , Alberto Testolin , Alessandro Sperduti

Current benchmarks for evaluating the chemical reasoning capabilities of Large Language Models (LLMs) are limited by oversimplified tasks, lack of process-level evaluation, and misalignment with expert-level chemistry skills. To address…

Large Language Models (LLMs) have drawn widespread attention and research due to their astounding performance in text generation and reasoning tasks. Derivative products, like ChatGPT, have been extensively deployed and highly sought after.…

Software Engineering · Computer Science 2024-12-11 Zibin Zheng , Kaiwen Ning , Qingyuan Zhong , Jiachi Chen , Wenqing Chen , Lianghong Guo , Weicheng Wang , Yanlin Wang

Executing computer programs described in natural language has long been a pursuit of computer science. With the advent of enhanced natural language understanding capabilities exhibited by large language models (LLMs), the path toward this…

Computation and Language · Computer Science 2024-03-15 Xin Zheng , Qiming Zhu , Hongyu Lin , Yaojie Lu , Xianpei Han , Le Sun

Large language models (LLMs) have shown to be valuable tools for tackling process mining tasks. Existing studies report on their capability to support various data-driven process analyses and even, to some extent, that they are able to…

Databases · Computer Science 2025-05-01 Adrian Rebmann , Fabian David Schmidt , Goran Glavaš , Han van der Aa

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 advancements in large language models (LLMs) have demonstrated strong potential for enabling domain-specific intelligence. In this work, we present our vision for building an AI-powered chemical brain, which frames chemical…

Artificial Intelligence · Computer Science 2026-01-12 Weichen Dai , Yezeng Chen , Zijie Dai , Yubo Liu , Zhijie Huang , Yixuan Pan , Baiyang Song , Chengli Zhong , Xinhe Li , Zeyu Wang , Zhuoying Feng , Yi Zhou

From pre-trained language model (PLM) to large language model (LLM), the field of natural language processing (NLP) has witnessed steep performance gains and wide practical uses. The evaluation of a research field guides its direction of…

Computation and Language · Computer Science 2023-08-16 Ziyu Zhuang , Qiguang Chen , Longxuan Ma , Mingda Li , Yi Han , Yushan Qian , Haopeng Bai , Zixian Feng , Weinan Zhang , Ting Liu

Large Language Models (LLMs) have achieved remarkable success and have been applied across various scientific fields, including chemistry. However, many chemical tasks require the processing of visual information, which cannot be…

The rapid advancement of artificial intelligence, particularly with the development of Large Language Models (LLMs) built on the transformer architecture, has redefined the capabilities of natural language processing. These models now…

Computation and Language · Computer Science 2025-02-11 Andrea Matarazzo , Riccardo Torlone

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…

With the advent of large language models (LLMs), there is a growing interest in applying LLMs to scientific tasks. In this work, we conduct an experimental study to explore applicability of LLMs for configuring, annotating, translating,…

Human-Computer Interaction · Computer Science 2025-10-13 Orcun Yildiz , Tom Peterka

Large Language Models (LLMs) have shown remarkable capabilities across a wide variety of Natural Language Processing (NLP) tasks and have attracted attention from multiple domains, including financial services. Despite the extensive…

Computation and Language · Computer Science 2025-01-14 Jean Lee , Nicholas Stevens , Soyeon Caren Han , Minseok Song

Large language models (LLMs) such as ChatGPT have gained considerable interest across diverse research communities. Their notable ability for text completion and generation has inaugurated a novel paradigm for language-interfaced problem…

Quantitative Methods · Quantitative Biology 2024-02-22 Hengchuang Yin , Zhonghui Gu , Fanhao Wang , Yiparemu Abuduhaibaier , Yanqiao Zhu , Xinming Tu , Xian-Sheng Hua , Xiao Luo , Yizhou Sun

Benchmarking the capabilities and limitations of large language models (LLMs) in graph-related tasks is becoming an increasingly popular and crucial area of research. Recent studies have shown that LLMs exhibit a preliminary ability to…

Machine Learning · Computer Science 2025-04-22 Xinnan Dai , Haohao Qu , Yifen Shen , Bohang Zhang , Qihao Wen , Wenqi Fan , Dongsheng Li , Jiliang Tang , Caihua Shan

Large language models (LLMs) have demonstrated remarkable potential in handling multilingual machine translation (MMT). In this paper, we systematically investigate the advantages and challenges of LLMs for MMT by answering two questions:…

Computation and Language · Computer Science 2024-06-17 Wenhao Zhu , Hongyi Liu , Qingxiu Dong , Jingjing Xu , Shujian Huang , Lingpeng Kong , Jiajun Chen , Lei Li

The integration of artificial intelligence into various domains is rapidly increasing, with Large Language Models (LLMs) becoming more prevalent in numerous applications. This work is included in an overall project which aims to train an…

Computational Physics · Physics 2025-01-09 Christophe Bajan , Guillaume Lambard

Large language models (LLMs), such as GPT4 and LLaMA, are creating significant advancements in natural language processing, due to their strong text encoding/decoding ability and newly found emergent capability (e.g., reasoning). While LLMs…

Computation and Language · Computer Science 2024-11-22 Bowen Jin , Gang Liu , Chi Han , Meng Jiang , Heng Ji , Jiawei Han

Large Language Models (LLMs) have emerged as a significant advancement in the field of Natural Language Processing (NLP), demonstrating remarkable capabilities in language generation and other language-centric tasks. Despite their…

Computation and Language · Computer Science 2024-02-27 Tasnim Ahmed , Nicola Piovesan , Antonio De Domenico , Salimur Choudhury