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Related papers: Training Text-to-Molecule Models with Context-Awar…

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The integration of molecular and natural language representations has emerged as a focal point in molecular science, with recent advancements in Language Models (LMs) demonstrating significant potential for comprehensive modeling of both…

Biomolecules · Quantitative Biology 2025-03-19 Qizhi Pei , Rui Yan , Kaiyuan Gao , Jinhua Zhu , Lijun Wu

We present $\textbf{MolT5}$ $-$ a self-supervised learning framework for pretraining models on a vast amount of unlabeled natural language text and molecule strings. $\textbf{MolT5}$ allows for new, useful, and challenging analogs of…

Computation and Language · Computer Science 2022-11-07 Carl Edwards , Tuan Lai , Kevin Ros , Garrett Honke , Kyunghyun Cho , Heng Ji

Molecular language modeling tasks such as molecule captioning have been recognized for their potential to further understand molecular properties that can aid drug discovery or material synthesis based on chemical reactions. Unlike the…

Machine Learning · Computer Science 2025-03-12 Sangyeup Kim , Nayeon Kim , Yinhua Piao , Sun Kim

We study the pre-train + fine-tune strategy for data-to-text tasks. Our experiments indicate that text-to-text pre-training in the form of T5, enables simple, end-to-end transformer based models to outperform pipelined neural architectures…

Computation and Language · Computer Science 2021-07-12 Mihir Kale , Abhinav Rastogi

Tokenization plays a critical role in language modeling, yet existing approaches such as Byte-Pair Encoding (BPE) or WordPiece operate purely on frequency statistics, ignoring the underlying semantic structure of text. This leads to…

Computation and Language · Computer Science 2025-08-22 Dong Liu , Yanxuan Yu

The remarkable success of Large Language Models (LLMs) across diverse tasks has driven the research community to extend their capabilities to molecular applications. However, most molecular LLMs employ adapter-based architectures that do…

Computation and Language · Computer Science 2025-06-24 Shuhan Guo , Yatao Bian , Ruibing Wang , Nan Yin , Zhen Wang , Quanming Yao

Morphology is a crucial factor for multilingual language modeling as it poses direct challenges for tokenization. Here, we seek to understand how tokenization influences the morphological knowledge encoded in multilingual language models.…

Computation and Language · Computer Science 2024-10-23 Thao Anh Dang , Limor Raviv , Lukas Galke

Transfer learning with a unified Transformer framework (T5) that converts all language problems into a text-to-text format was recently proposed as a simple and effective transfer learning approach. Although a multilingual version of the T5…

Computation and Language · Computer Science 2022-03-16 El Moatez Billah Nagoudi , AbdelRahim Elmadany , Muhammad Abdul-Mageed

Encoder-only transformer models have been successfully applied to different table understanding tasks, as in TAPAS (Herzig et al., 2020). A major limitation of these architectures is that they are constrained to classification-like tasks…

Computation and Language · Computer Science 2022-10-18 Ewa Andrejczuk , Julian Martin Eisenschlos , Francesco Piccinno , Syrine Krichene , Yasemin Altun

Models that rely on subword tokenization have significant drawbacks, such as sensitivity to character-level noise like spelling errors and inconsistent compression rates across different languages and scripts. While character- or byte-level…

Computation and Language · Computer Science 2025-04-03 Julie Kallini , Shikhar Murty , Christopher D. Manning , Christopher Potts , Róbert Csordás

Exploring the predictive capabilities of language models in material science is an ongoing interest. This study investigates the application of language model embeddings to enhance material property prediction in materials science. By…

Computation and Language · Computer Science 2024-11-05 Yuwei Wan , Tong Xie , Nan Wu , Wenjie Zhang , Chunyu Kit , Bram Hoex

Molecule-text modeling, which aims to facilitate molecule-relevant tasks with a textual interface and textual knowledge, is an emerging research direction. Beyond single molecules, studying reaction-text modeling holds promise for helping…

Quantitative Methods · Quantitative Biology 2024-05-24 Zhiyuan Liu , Yaorui Shi , An Zhang , Sihang Li , Enzhi Zhang , Xiang Wang , Kenji Kawaguchi , Tat-Seng Chua

Molecule and text representation learning has gained increasing interest due to its potential for enhancing the understanding of chemical information. However, existing models often struggle to capture subtle differences between molecules…

Machine Learning · Computer Science 2025-10-31 Hyuntae Park , Yeachan Kim , SangKeun Lee

Subword tokenization is a common method for vocabulary building in Neural Machine Translation (NMT) models. However, increasingly complex tasks have revealed its disadvantages. First, a vocabulary cannot be modified once it is learned,…

Computation and Language · Computer Science 2024-08-13 Langlin Huang , Yang Feng

In long-text speech synthesis, current approaches typically convert text to speech at the sentence-level and concatenate the results to form pseudo-paragraph-level speech. These methods overlook the contextual coherence of paragraphs,…

Audio and Speech Processing · Electrical Eng. & Systems 2025-08-21 Zhipeng Li , Xiaofen Xing , Jingyuan Xing , Hangrui Hu , Heng Lu , Xiangmin Xu

Text representation plays a critical role in tasks like clustering, retrieval, and other downstream applications. With the emergence of large language models (LLMs), there is increasing interest in harnessing their capabilities for this…

Computation and Language · Computer Science 2025-12-25 Yeqin Zhang , Yizheng Zhao , Chen Hu , Binxing Jiao , Daxin Jiang , Ruihang Miao , Cam-Tu Nguyen

There is increasing adoption of artificial intelligence in drug discovery. However, existing studies use machine learning to mainly utilize the chemical structures of molecules but ignore the vast textual knowledge available in chemistry.…

Machine Learning · Computer Science 2024-01-31 Shengchao Liu , Weili Nie , Chengpeng Wang , Jiarui Lu , Zhuoran Qiao , Ling Liu , Jian Tang , Chaowei Xiao , Anima Anandkumar

Novel contexts may often arise in complex querying scenarios such as in evidence-based medicine (EBM) involving biomedical literature, that may not explicitly refer to entities or canonical concept forms occurring in any fact- or rule-based…

Computation and Language · Computer Science 2019-11-12 Manirupa Das , Juanxi Li , Eric Fosler-Lussier , Simon Lin , Soheil Moosavinasab , Steve Rust , Yungui Huang , Rajiv Ramnath

Many applications of large language models (LLMs) require long-context understanding, but models continue to struggle with such tasks. We hypothesize that conventional next-token prediction training could contribute to this, because each…

Computation and Language · Computer Science 2025-03-13 Falko Helm , Nico Daheim , Iryna Gurevych

Recent advances in language modeling have witnessed the rise of highly desirable emergent capabilities, such as reasoning and in-context learning. However, vision models have yet to exhibit comparable progress in these areas. In this paper,…

Computer Vision and Pattern Recognition · Computer Science 2025-10-10 Jike Zhong , Yuxiang Lai , Xiaofeng Yang , Konstantinos Psounis
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