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The ability to transmit and receive complex information via language is unique to humans and is the basis of traditions, culture and versatile social interactions. Through the disruptive introduction of transformer based large language…

Computation and Language · Computer Science 2024-05-06 Patrick Krauss , Jannik Hösch , Claus Metzner , Andreas Maier , Peter Uhrig , Achim Schilling

Many applications need access to background knowledge about how different concepts and entities are related. Although Knowledge Graphs (KG) and Large Language Models (LLM) can address this need to some extent, KGs are inevitably incomplete…

Computation and Language · Computer Science 2023-10-10 Asahi Ushio , Jose Camacho-Collados , Steven Schockaert

Large Language Models (LLMs) have drawn a lot of attention due to their strong performance on a wide range of natural language tasks, since the release of ChatGPT in November 2022. LLMs' ability of general-purpose language understanding and…

Computation and Language · Computer Science 2025-03-25 Shervin Minaee , Tomas Mikolov , Narjes Nikzad , Meysam Chenaghlu , Richard Socher , Xavier Amatriain , Jianfeng Gao

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

Machine Learning · Computer Science 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

Large language models (LLMs) are widely applied in various natural language processing tasks such as question answering and machine translation. However, due to the lack of labeled data and the difficulty of manual annotation for…

Artificial Intelligence · Computer Science 2026-05-27 Xuan Lin , Long Chen , Yile Wang , Yangyang Chen , Xiangxiang Zeng

Therapeutic peptides have emerged as a pivotal modality in modern drug discovery, occupying a chemically and topologically rich space. While accurate prediction of their physicochemical properties is essential for accelerating peptide…

Machine Learning · Computer Science 2025-12-30 Seungeon Lee , Takuto Koyama , Itsuki Maeda , Shigeyuki Matsumoto , Yasushi Okuno

Pre-trained Language Model (PLM) has become a representative foundation model in the natural language processing field. Most PLMs are trained with linguistic-agnostic pre-training tasks on the surface form of the text, such as the masked…

Computation and Language · Computer Science 2022-11-11 Yiming Cui , Wanxiang Che , Shijin Wang , Ting Liu

Molecular property prediction is a fundamental task in computational chemistry with critical applications in drug discovery and materials science. While recent works have explored Large Language Models (LLMs) for this task, they primarily…

Computer Vision and Pattern Recognition · Computer Science 2025-07-08 Deepan Adak , Yogesh Singh Rawat , Shruti Vyas

Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the…

Biomolecules · Quantitative Biology 2024-05-14 Xianggen Liu , Yan Guo , Haoran Li , Jin Liu , Shudong Huang , Bowen Ke , Jiancheng Lv

Molecular property prediction is an increasingly critical task within drug discovery and development. Typically, neural networks can learn molecular properties using graph-based, language-based or feature-based methods. Recent advances in…

Machine Learning · Computer Science 2025-07-31 Philip Spence , Brooks Paige , Anne Osbourn

Large Language Models (LLMs), typified by OpenAI's GPT, have marked a significant advancement in artificial intelligence. Trained on vast amounts of text data, LLMs are capable of understanding and generating human-like text across a…

Artificial Intelligence · Computer Science 2024-10-29 Haochen Zhang , Yuyang Dong , Chuan Xiao , Masafumi Oyamada

Recent advances in protein language models (PLMs) have demonstrated remarkable capabilities in understanding protein sequences. However, the extent to which different model architectures capture antibody-specific biological properties…

Machine Learning · Computer Science 2025-12-11 Mengren , Liu , Yixiang Zhang , Yiming , Zhang

Pre-trained large language models(LLMs) have attracted increasing attention in biomedical domains due to their success in natural language processing. However, the complex traits and heterogeneity of multi-sources genomics data pose…

Computation and Language · Computer Science 2025-11-25 Yanjun Lyu , Zihao Wu , Lu Zhang , Jing Zhang , Yiwei Li , Wei Ruan , Zhengliang Liu , Zeyu Zhang , Xiang Li , Rongjie Liu , Chao Huang , Wentao Li , Tianming Liu , Dajiang Zhu

E-commerce platforms require structured product data in the form of attribute-value pairs to offer features such as faceted product search or attribute-based product comparison. However, vendors often provide unstructured product…

Computation and Language · Computer Science 2024-09-23 Alexander Brinkmann , Roee Shraga , Christian Bizer

Large Language Models (LLMs) are advanced deep-learning models designed to understand and generate human language. They work together with models that process data like images, enabling cross-modal understanding. However, existing…

Computer Vision and Pattern Recognition · Computer Science 2025-02-25 Shreya Singh

Large language models have made significant strides in natural language processing, enabling innovative applications in molecular science by processing textual representations of molecules. However, most existing language models cannot…

Machine Learning · Computer Science 2024-02-07 Pengfei Liu , Yiming Ren , Jun Tao , Zhixiang Ren

Large Language Models (LLMs), such as GPT, are considered to learn the latent distributions within large-scale web-crawl datasets and accomplish natural language processing (NLP) tasks by predicting the next token. However, this mechanism…

Computation and Language · Computer Science 2025-02-04 Kun-Peng Ning , Jia-Yu Yao , Yu-Yang Liu , Mu-Nan Ning , Li Yuan

Large Language Models (LLMs) with their strong task-handling capabilities have shown remarkable advancements across a spectrum of fields, moving beyond natural language understanding. However, their proficiency within the chemistry domain…

Computer Vision and Pattern Recognition · Computer Science 2026-02-02 Khiem Le , Zhichun Guo , Kaiwen Dong , Xiaobao Huang , Bozhao Nan , Roshni Iyer , Xiangliang Zhang , Olaf Wiest , Wei Wang , Ting Hua , Nitesh V. Chawla

In the computational prediction of chemical compound properties, molecular descriptors and fingerprints encoded to low dimensional vectors are used. The selection of proper molecular descriptors and fingerprints is both important and…

Machine Learning · Computer Science 2020-10-23 Sangrak Lim , Yong Oh Lee

Previous learning-based vulnerability detection methods relied on either medium-sized pre-trained models or smaller neural networks from scratch. Recent advancements in Large Pre-Trained Language Models (LLMs) have showcased remarkable…

Software Engineering · Computer Science 2024-01-30 Xin Zhou , Ting Zhang , David Lo