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Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

Machine Learning · Computer Science 2025-08-05 Qian Tan , Dongzhan Zhou , Peng Xia , Wanhao Liu , Wanli Ouyang , Lei Bai , Yuqiang Li , Tianfan Fu

In recent years, Large Language Models (LLMs) have achieved significant success in natural language processing (NLP) and various interdisciplinary areas. However, applying LLMs to chemistry is a complex task that requires specialized domain…

Machine Learning · Computer Science 2024-02-05 Chang Liao , Yemin Yu , Yu Mei , Ying Wei

The large scale of scholarly publications poses a challenge for scholars in information seeking and sensemaking. Bibliometrics, information retrieval (IR), text mining and NLP techniques could help in these search and look-up activities,…

Digital Libraries · Computer Science 2017-06-09 Muthu Kumar Chandrasekaran , Kokil Jaidka , Philipp Mayr

The workshop "Mining Scientific Papers: Computational Linguistics and Bibliometrics" (CLBib 2015), co-located with the 15th International Society of Scientometrics and Informetrics Conference (ISSI 2015), brought together researchers in…

Computation and Language · Computer Science 2015-06-18 Iana Atanassova , Marc Bertin , Philipp Mayr

To retrieve and compare scientific data of simulations and experiments in materials science, data needs to be easily accessible and machine readable to qualify and quantify various materials science phenomena. The recent progress in open…

Materials Science · Physics 2025-03-25 Balduin Katzer , Steffen Klinder , Katrin Schulz

Large Language Models (LLMs) are increasingly utilized for large-scale extraction and organization of unstructured data owing to their exceptional Natural Language Processing (NLP) capabilities. Empowering materials design, vast amounts of…

Digital Libraries · Computer Science 2025-12-11 Wenkai Ning , Musen Li , Jeffrey R. Reimers , Rika Kobayashi

Recent developments in computational chemistry facilitate the automated quantum chemical exploration of chemical reaction networks for the in-silico prediction of synthesis pathways, yield, and selectivity. However, the underlying quantum…

Chemical Physics · Physics 2025-10-22 Marco Eckhoff , Markus Reiher

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

Chemical reasoning usually involves complex, multi-step processes that demand precise calculations, where even minor errors can lead to cascading failures. Furthermore, large language models (LLMs) encounter difficulties handling…

Computation and Language · Computer Science 2025-01-14 Xiangru Tang , Tianyu Hu , Muyang Ye , Yanjun Shao , Xunjian Yin , Siru Ouyang , Wangchunshu Zhou , Pan Lu , Zhuosheng Zhang , Yilun Zhao , Arman Cohan , Mark Gerstein

Natural Language Processing (NLP) aims to analyze text or speech via techniques in the computer science field. It serves applications in the domains of healthcare, commerce, education, and so on. Particularly, NLP has been widely applied to…

Computation and Language · Computer Science 2025-10-14 Yunshi Lan , Xinyuan Li , Hanyue Du , Xuesong Lu , Ming Gao , Weining Qian , Aoying Zhou

The fast-growing number of research articles makes it problematic for scholars to keep track of the new findings related to their areas of expertise. Furthermore, linking knowledge across disciplines in rapidly developing fields becomes…

Computation and Language · Computer Science 2024-07-04 Sofia Gil-Clavel , Tatiana Filatova

This literature review studies the field of automated process extraction, i.e., transforming textual descriptions into structured processes using Natural Language Processing (NLP). We found that Machine Learning (ML) / Deep Learning (DL)…

Computation and Language · Computer Science 2024-09-24 William Van Woensel , Soroor Motie

In the era of big and ubiquitous data, professionals and students alike are finding themselves needing to perform a number of textual analysis tasks. Historically, the general lack of statistical expertise and programming skills has stopped…

Digital Libraries · Computer Science 2024-10-30 Faizhal Arif Santosa , Manika Lamba , Crissandra George , J. Stephen Downie

Text classification stands as a cornerstone within the realm of Natural Language Processing (NLP), particularly when viewed through computer science and engineering. The past decade has seen deep learning revolutionize text classification,…

Computation and Language · Computer Science 2025-04-23 Marco Siino , Ilenia Tinnirello , Marco La Cascia

Neuron analysis provides insights into how knowledge is structured in representations and discovers the role of neurons in the network. In addition to developing an understanding of our models, neuron analysis enables various applications…

Computation and Language · Computer Science 2023-05-29 Fahim Dalvi , Hassan Sajjad , Nadir Durrani

Structured information extraction from scientific literature is crucial for capturing core concepts and emerging trends in specialized fields. While existing datasets aid model development, most focus on specific publication sections due to…

Computation and Language · Computer Science 2026-04-06 Decheng Duan , Yingyi Zhang , Jitong Peng , Chengzhi Zhang

This chapter is a preprint from our book by , focusing on leveraging machine learning (ML) in chemical and polyolefin manufacturing optimization. It's crafted for both novices and seasoned professionals keen on the latest ML applications in…

Machine Learning · Computer Science 2024-01-23 Niket Sharma , Y. A. Liu

Transfer learning, particularly approaches that combine multi-task learning with pre-trained contextualized embeddings and fine-tuning, have advanced the field of Natural Language Processing tremendously in recent years. In this paper we…

Computation and Language · Computer Science 2021-03-12 Rob van der Goot , Ahmet Üstün , Alan Ramponi , Ibrahim Sharaf , Barbara Plank

Despite impressive success of machine learning algorithms in clinical natural language processing (cNLP), rule-based approaches still have a prominent role. In this paper, we introduce medspaCy, an extensible, open-source cNLP library based…

Computation and Language · Computer Science 2021-06-16 Hannah Eyre , Alec B Chapman , Kelly S Peterson , Jianlin Shi , Patrick R Alba , Makoto M Jones , Tamara L Box , Scott L DuVall , Olga V Patterson

We present MatSci-NLP, a natural language benchmark for evaluating the performance of natural language processing (NLP) models on materials science text. We construct the benchmark from publicly available materials science text data to…

Computation and Language · Computer Science 2023-05-16 Yu Song , Santiago Miret , Bang Liu