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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…

机器学习 · 计算机科学 2024-02-05 Chang Liao , Yemin Yu , Yu Mei , Ying Wei

Tokenization is a foundational step in the text process of Large Language Models (LLMs). Texts must be first tokenized into token IDs, which are then input to LLMs. Inefficient tokenization results in long token-ID sequences and will slow…

计算与语言 · 计算机科学 2026-05-14 Chong Li , Yingzhuo Deng , Wen Yang , Jiajun Zhang , Chengqing Zong

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…

化学物理 · 物理学 2024-12-31 Yang Han , Ziping Wan , Lu Chen , Kai Yu , Xin Chen

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…

计算机视觉与模式识别 · 计算机科学 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

Tokenization serves as a foundational step for Large Language Models (LLMs) to process text. In new domains or languages, the inefficiency of the tokenizer will slow down the training and generation of LLM. The mismatch in vocabulary also…

计算与语言 · 计算机科学 2025-06-05 Chong Li , Jiajun Zhang , Chengqing Zong

Language models typically tokenize raw text into sequences of subword identifiers from a predefined vocabulary, a process inherently sensitive to typographical errors, length variations, and largely oblivious to the internal structure of…

计算与语言 · 计算机科学 2024-10-07 Yekun Chai , Yewei Fang , Qiwei Peng , Xuhong Li

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

Extending pre-trained text Large Language Models (LLMs)'s speech understanding or generation abilities by introducing various effective speech tokens has attracted great attention in the speech community. However, building a unified speech…

声音 · 计算机科学 2025-11-18 Yuanyuan Wang , Dongchao Yang , Yiwen Shao , Hangting Chen , Jiankun Zhao , Zhiyong Wu , Helen Meng , Xixin Wu

Prior research has demonstrated noticeable performance gains through the use of probabilistic tokenizations, an approach that involves employing multiple tokenizations of the same input string during the training phase of a language model.…

计算与语言 · 计算机科学 2024-07-08 Ashutosh Sathe , Divyanshu Aggarwal , Sunayana Sitaram

The vocabulary used by language models (LM) - defined by the tokenizer - plays a key role in text generation quality. However, its impact remains under-explored in radiology. In this work, we address this gap by systematically comparing…

计算与语言 · 计算机科学 2025-08-14 Hermione Warr , Wentian Xu , Harry Anthony , Yasin Ibrahim , Daniel McGowan , Konstantinos Kamnitsas

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

机器学习 · 计算机科学 2025-05-23 Ziqing Wang , Kexin Zhang , Zihan Zhao , Yibo Wen , Abhishek Pandey , Han Liu , Kaize Ding

Chemical representation learning has gained increasing interest due to the limited availability of supervised data in fields such as drug and materials design. This interest particularly extends to chemical language representation learning,…

化学物理 · 物理学 2024-08-06 Jun-Hyung Park , Yeachan Kim , Mingyu Lee , Hyuntae Park , SangKeun Lee

Tokenization is a fundamental component of large language models (LLMs), yet its influence on model scaling and performance is not fully explored. In this paper, we introduce Over-Tokenized Transformers, a novel framework that decouples…

计算与语言 · 计算机科学 2025-05-26 Hongzhi Huang , Defa Zhu , Banggu Wu , Yutao Zeng , Ya Wang , Qiyang Min , Xun Zhou

Natural language is composed of words, but modern large language models (LLMs) process sub-words as input. A natural question raised by this discrepancy is whether LLMs encode words internally, and if so how. We present evidence that LLMs…

计算与语言 · 计算机科学 2025-03-04 Guy Kaplan , Matanel Oren , Yuval Reif , Roy Schwartz

Recent advancements in large language models (LLMs) have remarkably enhanced performances on a variety of tasks in multiple languages. However, tokenizers in LLMs trained primarily on English-centric corpora often overly fragment a text…

计算与语言 · 计算机科学 2024-08-07 Jimin Hong , Gibbeum Lee , Jaewoong Cho

Large language models (LLMs), endowed with exceptional reasoning capabilities, are adept at discerning profound user interests from historical behaviors, thereby presenting a promising avenue for the advancement of recommendation systems.…

信息检索 · 计算机科学 2024-12-19 Guanghan Li , Xun Zhang , Yufei Zhang , Yifan Yin , Guojun Yin , Wei Lin

Large Language Models (LLMs) have demonstrated remarkable generalization across diverse tasks, leading individuals to increasingly use them as personal assistants and universal computing engines. Nevertheless, a notable obstacle emerges…

机器学习 · 计算机科学 2023-09-13 Dimitris Spathis , Fahim Kawsar

While model architecture and training objectives are well-studied, tokenization, particularly in multilingual contexts, remains a relatively neglected aspect of Large Language Model (LLM) development. Existing tokenizers often exhibit high…

Tokenizer is an essential component for large language models (LLMs), and a tokenizer with a high compression rate can improve the model's representation and processing efficiency. However, the tokenizer cannot ensure high compression rate…

计算与语言 · 计算机科学 2024-10-08 Shuhao Gu , Mengdi Zhao , Bowen Zhang , Liangdong Wang , Jijie Li , Guang Liu

Chemical language models (CLMs) are increasingly used for molecular design and property prediction. Because these models learn from textual encodings of molecules, differences in how such encodings are generated may affect their behavior.…

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