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Related papers: Bridging Text and Molecule: A Survey on Multimodal…

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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…

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

Artificial intelligence (AI) technology has advanced rapidly in recent years, with large language models (LLMs) emerging as a significant breakthrough. LLMs are increasingly making an impact across various industries, with the medical field…

Artificial Intelligence · Computer Science 2025-09-24 Zhiyu Kan , Wensheng Gan , Zhenlian Qi , Philip S. Yu

Recent advancements in artificial intelligence have sparked interest in scientific assistants that could support researchers across the full spectrum of scientific workflows, from literature review to experimental design and data analysis.…

Designing de-novo molecules with desired property profiles requires efficient exploration of the vast chemical space ranging from $10^{23}$ to $10^{60}$ possible synthesizable candidates. While various deep generative models have been…

Machine Learning · Computer Science 2025-08-25 Kamran Chitsaz , Roshan Balaji , Quentin Fournier , Nirav Pravinbhai Bhatt , Sarath Chandar

Molecular modeling is an important topic in drug discovery. Decades of research have led to the development of high quality scalable molecular force fields. In this paper, we show that neural networks can be used to train a universal…

Quantitative Methods · Quantitative Biology 2021-04-20 Ke Liu , Zekun Ni , Zhenyu Zhou , Suocheng Tan , Xun Zou , Haoming Xing , Xiangyan Sun , Qi Han , Junqiu Wu , Jie Fan

Deep learning models have become fundamental tools in drug design. In particular, large language models trained on biochemical sequences learn feature vectors that guide drug discovery through virtual screening. However, such models do not…

Biomolecules · Quantitative Biology 2025-03-28 Joseph D. Clark , Tanner J. Dean , Diwakar Shukla

Based on the foundation of Large Language Models (LLMs), Multilingual LLMs (MLLMs) have been developed to address the challenges faced in multilingual natural language processing, hoping to achieve knowledge transfer from high-resource…

Computation and Language · Computer Science 2024-12-10 Yuemei Xu , Ling Hu , Jiayi Zhao , Zihan Qiu , Kexin XU , Yuqi Ye , Hanwen Gu

Language modeling has seen impressive progress over the last years, mainly prompted by the invention of the Transformer architecture, sparking a revolution in many fields of machine learning, with breakthroughs in chemistry and biology. In…

Machine Learning · Computer Science 2023-10-11 Andres M Bran , Philippe Schwaller

The versatility of multimodal deep learning holds tremendous promise for advancing scientific research and practical applications. As this field continues to evolve, the collective power of cross-modal analysis promises to drive…

Machine Learning · Computer Science 2025-05-15 Yifei Wang , Yunrui Li , Lin Liu , Pengyu Hong , Hao Xu

The field of deep learning has witnessed a remarkable shift towards extremely compute- and memory-intensive neural networks. These newer larger models have enabled researchers to advance state-of-the-art tools across a variety of fields.…

Machine Learning · Computer Science 2022-07-04 Daniel Nichols , Siddharth Singh , Shu-Huai Lin , Abhinav Bhatele

Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains…

Machine Learning · Computer Science 2020-03-27 Maithra Raghu , Eric Schmidt

The connection between texts is referred to as intertextuality in literary theory, which served as an important theoretical basis in many digital humanities studies. Over the past decade, advancements in natural language processing have…

Computation and Language · Computer Science 2025-11-03 Siyu Duan

Recent technological advances in healthcare have led to unprecedented growth in patient data quantity and diversity. While artificial intelligence (AI) models have shown promising results in analyzing individual data modalities, there is…

Artificial Intelligence · Computer Science 2024-11-07 Daan Schouten , Giulia Nicoletti , Bas Dille , Catherine Chia , Pierpaolo Vendittelli , Megan Schuurmans , Geert Litjens , Nadieh Khalili

Recent advancements in Artificial Intelligence have led to the development of Multimodal Large Language Models (MLLMs). However, adapting these pre-trained models to dynamic data distributions and various tasks efficiently remains a…

Machine Learning · Computer Science 2025-03-05 Yukang Huo , Hao Tang

Large language models (LLMs) have achieved superior performance in powering text-based AI agents, endowing them with decision-making and reasoning abilities akin to humans. Concurrently, there is an emerging research trend focused on…

Computer Vision and Pattern Recognition · Computer Science 2024-02-26 Junlin Xie , Zhihong Chen , Ruifei Zhang , Xiang Wan , Guanbin Li

In the space of only a few years, deep generative modeling has revolutionized how we think of artificial creativity, yielding autonomous systems which produce original images, music, and text. Inspired by these successes, researchers are…

Machine Learning · Computer Science 2019-05-24 Daniel C. Elton , Zois Boukouvalas , Mark D. Fuge , Peter W. Chung

The research explores the utilization of a deep learning model employing an attention mechanism in medical text mining. It targets the challenge of analyzing unstructured text information within medical data. This research seeks to enhance…

Computation and Language · Computer Science 2024-06-04 Lingxi Xiao , Muqing Li , Yinqiu Feng , Meiqi Wang , Ziyi Zhu , Zexi Chen

Recent advances in product bundling have leveraged multimodal information through sophisticated encoders, but remain constrained by limited semantic understanding and a narrow scope of knowledge. Therefore, some attempts employ In-context…

Information Retrieval · Computer Science 2025-02-04 Xiaohao Liu , Jie Wu , Zhulin Tao , Yunshan Ma , Yinwei Wei , Tat-seng Chua

There will be a paradigm shift in chemical and biological research, to be enabled by autonomous, closed-loop, real-time self-directed decision-making experimentation. Spectrum-to-structure correlation, which is to elucidate molecular…

Chemical Physics · Physics 2026-01-21 Xinyu Lu , Hao Ma , Hui Li , Jia Li , Yi Rong , Yuqiang Li , Tong Zhu , Guokun Liu , Bin Ren

This tutorial explores recent advancements in multimodal pretrained and large models, capable of integrating and processing diverse data forms such as text, images, audio, and video. Participants will gain an understanding of the…

Computation and Language · Computer Science 2024-10-10 Soyeon Caren Han , Feiqi Cao , Josiah Poon , Roberto Navigli