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Multi-modal document pre-trained models have proven to be very effective in a variety of visually-rich document understanding (VrDU) tasks. Though existing document pre-trained models have achieved excellent performance on standard…

Computer Vision and Pattern Recognition · Computer Science 2025-06-19 Chuwei Luo , Guozhi Tang , Qi Zheng , Cong Yao , Lianwen Jin , Chenliang Li , Yang Xue , Luo Si

Multilingual pre-trained language models, such as mBERT and XLM-R, have shown impressive cross-lingual ability. Surprisingly, both of them use multilingual masked language model (MLM) without any cross-lingual supervision or aligned data.…

Computation and Language · Computer Science 2022-03-17 Yuan Chai , Yaobo Liang , Nan Duan

The capabilities of AI for biomedicine span a wide spectrum, from the atomic level, where it solves partial differential equations for quantum systems, to the molecular level, predicting chemical or protein structures, and further extending…

Computation and Language · Computer Science 2024-03-26 Zhenyu Bi , Sajib Acharjee Dip , Daniel Hajialigol , Sindhura Kommu , Hanwen Liu , Meng Lu , Xuan Wang

Protein is linked to almost every life process. Therefore, analyzing the biological structure and property of protein sequences is critical to the exploration of life, as well as disease detection and drug discovery. Traditional protein…

Machine Learning · Computer Science 2021-12-08 Yijia Xiao , Jiezhong Qiu , Ziang Li , Chang-Yu Hsieh , Jie Tang

Chemical language models (CLMs) are prominent for their effectiveness in exploring chemical space and enabling molecular engineering. However, while exploring chemical-linguistic space, CLMs suffer from the gap between natural language and…

Computational Engineering, Finance, and Science · Computer Science 2025-01-07 Liuzhenghao Lv , Hao Li , Yu Wang , Zhiyuan Yan , Zijun Chen , Zongying Lin , Li Yuan , Yonghong Tian

Molecular visualization software has long supported research and education in chemical and structural sciences, but consumer devices constrained to 2D inputs and outputs pose two major challenges: they poorly convey 3D nature, and 3D…

Chemical Physics · Physics 2025-09-05 Luciano A. Abriata

Scientific reasoning, the process through which humans apply logic, evidence, and critical thinking to explore and interpret scientific phenomena, is essential in advancing knowledge reasoning across diverse fields. However, despite…

Computation and Language · Computer Science 2026-04-21 Yibo Yan , Shen Wang , Jiahao Huo , Jingheng Ye , Zhendong Chu , Xuming Hu , Philip S. Yu , Carla Gomes , Bart Selman , Qingsong Wen

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and…

Machine Learning · Computer Science 2024-03-11 Zhiqiang Zhong , Kuangyu Zhou , Davide Mottin

Representation learning is the foundation of natural language processing (NLP). This work presents new methods to employ visual information as assistant signals to general NLP tasks. For each sentence, we first retrieve a flexible number of…

Computation and Language · Computer Science 2023-01-10 Zhuosheng Zhang , Kehai Chen , Rui Wang , Masao Utiyama , Eiichiro Sumita , Zuchao Li , Hai Zhao

Large language models applied to vast biological datasets have the potential to transform biology by uncovering disease mechanisms and accelerating drug development. However, current models are often siloed, trained separately on…

State-of-the-art vision-and-language models consist of many parameters and learn from enormous datasets, surpassing the amounts of linguistic data that children are exposed to as they acquire a language. This paper presents our approach to…

Computation and Language · Computer Science 2025-10-03 Ece Takmaz , Lisa Bylinina , Jakub Dotlacil

The rapid progress of Multimodal Large Language Models(MLLMs) has transformed the AI landscape. These models combine pre-trained LLMs with various modality encoders. This integration requires a systematic understanding of how different…

Computation and Language · Computer Science 2025-06-06 Jisu An , Junseok Lee , Jeoungeun Lee , Yongseok Son

The advent of Large Language Models (LLMs) has significantly reshaped the trajectory of the AI revolution. Nevertheless, these LLMs exhibit a notable limitation, as they are primarily adept at processing textual information. To address this…

Computer Vision and Pattern Recognition · Computer Science 2025-10-15 Akash Ghosh , Arkadeep Acharya , Sriparna Saha , Vinija Jain , Aman Chadha

Deep learning has transformed the way large and complex image datasets can be processed, reshaping what is possible in bioimage analysis. As the complexity and size of bioimage data continues to grow, this new analysis paradigm is becoming…

Quantitative Methods · Quantitative Biology 2021-08-03 Adrien Hallou , Hannah Yevick , Bianca Dumitrascu , Virginie Uhlmann

Goal-oriented de novo molecule design, namely generating molecules with specific property or substructure constraints, is a crucial yet challenging task in drug discovery. Existing methods, such as Bayesian optimization and reinforcement…

Computational Engineering, Finance, and Science · Computer Science 2025-02-28 Chuanliu Fan , Ziqiang Cao , Zicheng Ma , Nan Yu , Yimin Peng , Jun Zhang , Yiqin Gao , Guohong Fu

With the rapid development of artificial intelligence, large language models (LLMs) have shown promising capabilities in mimicking human-level language comprehension and reasoning. This has sparked significant interest in applying LLMs to…

Computation and Language · Computer Science 2023-11-06 Mingze Yuan , Peng Bao , Jiajia Yuan , Yunhao Shen , Zifan Chen , Yi Xie , Jie Zhao , Yang Chen , Li Zhang , Lin Shen , Bin Dong

Machine learning, notably deep learning, has significantly propelled molecular investigations within the biochemical sphere. Traditionally, modeling for such research has centered around a handful of paradigms. For instance, the prediction…

Machine Learning · Computer Science 2023-09-06 Yin Fang , Zhuo Chen , Xiaohui Fan , Ningyu Zhang

Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have employed strings, fingerprints, global…

Machine Learning · Computer Science 2025-05-28 Daniil A. Boiko , Thiago Reschützegger , Benjamin Sanchez-Lengeling , Samuel M. Blau , Gabe Gomes

Large language models (LLMs) have shown remarkable capabilities in general domains, but their application to multi-omics biology remains underexplored. To address this gap, we introduce Biology-Instructions, the first large-scale…

Guiding biological systems toward desired states, such as morphogenetic outcomes, remains a fundamental challenge with far-reaching implications for medicine and synthetic biology. While large language models (LLMs) have enabled natural…

Artificial Intelligence · Computer Science 2025-08-27 Nam H. Le , Patrick Erikson , Yanbo Zhang , Michael Levin , Josh Bongard