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In the past five years, research has shifted from traditional Machine Learning (ML) and Deep Learning (DL) approaches to leveraging Large Language Models (LLMs) , including multimodality, for data augmentation to enhance generalization, and…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Ranjan Sapkota , Shaina Raza , Maged Shoman , Achyut Paudel , Manoj Karkee

Large language models (LLMs) have large potential for molecular optimization, as they can gather external chemistry tools and enable collaborative interactions to iteratively refine molecular candidates. However, this potential remains…

Artificial Intelligence · Computer Science 2025-05-28 Hyomin Kim , Yunhui Jang , Sungsoo Ahn

Document Image Machine Translation (DIMT) aims to translate text within document images, facing generalization challenges due to limited training data and the complex interplay between visual and textual information. To address these…

Computation and Language · Computer Science 2025-07-11 Yupu Liang , Yaping Zhang , Zhiyang Zhang , Yang Zhao , Lu Xiang , Chengqing Zong , Yu Zhou

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

Large language models (LLMs) are increasingly recognized as powerful tools for scientific discovery, particularly in molecular science. A fundamental requirement for these models is the ability to accurately understand molecular structures,…

Machine Learning · Computer Science 2025-05-23 Yunhui Jang , Jaehyung Kim , Sungsoo Ahn

The exploration of multimodal language models integrates multiple data types, such as images, text, language, audio, and other heterogeneity. While the latest large language models excel in text-based tasks, they often struggle to…

Artificial Intelligence · Computer Science 2023-11-23 Jiayang Wu , Wensheng Gan , Zefeng Chen , Shicheng Wan , Philip S. Yu

This paper introduces M$^{3}$-20M, a large-scale Multi-Modal Molecule dataset that contains over 20 million molecules, with the data mainly being integrated from existing databases and partially generated by large language models. Designed…

Quantitative Methods · Quantitative Biology 2025-03-18 Siyuan Guo , Lexuan Wang , Chang Jin , Jinxian Wang , Han Peng , Huayang Shi , Wengen Li , Jihong Guan , Shuigeng Zhou

Advancements in artificial intelligence for molecular science are necessitating a paradigm shift from purely data-driven predictions to knowledge-guided computational reasoning. Existing molecular models are predominantly proprietary,…

Machine Learning · Computer Science 2026-03-16 Pengfei Liu , Shuang Ge , Jun Tao , Zhixiang Ren

Diffusion models have gained tremendous success in text-to-image generation, yet still lag behind with visual understanding tasks, an area dominated by autoregressive vision-language models. We propose a large-scale and fully end-to-end…

Computer Vision and Pattern Recognition · Computer Science 2025-04-03 Zijie Li , Henry Li , Yichun Shi , Amir Barati Farimani , Yuval Kluger , Linjie Yang , Peng Wang

Current multimodal large language models (MLLMs) are mainly focused on the understanding and processing of perceptual modalities such as images and videos, while their capability for scientific data understanding remains insufficient. To…

Artificial Intelligence · Computer Science 2026-05-14 Yanjie Li , Lina Yu , Weijun Li , Min Wu , Liping Zhang , Jingyi Liu , Yusong Deng , Mingzhu Wan , Xin Ning

With the urgent demand for generalized deep models, many pre-trained big models are proposed, such as BERT, ViT, GPT, etc. Inspired by the success of these models in single domains (like computer vision and natural language processing), the…

Computer Vision and Pattern Recognition · Computer Science 2024-04-11 Xiao Wang , Guangyao Chen , Guangwu Qian , Pengcheng Gao , Xiao-Yong Wei , Yaowei Wang , Yonghong Tian , Wen Gao

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

The rapid advancement of large language models (LLMs) has accelerated the emergence of in-context learning (ICL) as a cutting-edge approach in the natural language processing domain. Recently, ICL has been employed in visual understanding…

Computer Vision and Pattern Recognition · Computer Science 2024-03-19 Dianmo Sheng , Dongdong Chen , Zhentao Tan , Qiankun Liu , Qi Chu , Jianmin Bao , Tao Gong , Bin Liu , Shengwei Xu , Nenghai Yu

We propose a novel method for unsupervised image-to-image translation, which incorporates a new attention module and a new learnable normalization function in an end-to-end manner. The attention module guides our model to focus on more…

Computer Vision and Pattern Recognition · Computer Science 2020-04-09 Junho Kim , Minjae Kim , Hyeonwoo Kang , Kwanghee Lee

Currently, dialogue systems have achieved high performance in processing text-based communication. However, they have not yet effectively incorporated visual information, which poses a significant challenge. Furthermore, existing models…

Computation and Language · Computer Science 2023-12-19 Viktor Moskvoretskii , Anton Frolov , Denis Kuznetsov

While large multi-modal models (LMM) have shown notable progress in multi-modal tasks, their capabilities in tasks involving dense textual content remains to be fully explored. Dense text, which carries important information, is often found…

Computation and Language · Computer Science 2024-05-14 Shuo Zhang , Biao Yang , Zhang Li , Zhiyin Ma , Yuliang Liu , Xiang Bai

Large Language Models (LLMs) have shown remarkable capabilities in processing various data structures, including graphs. While previous research has focused on developing textual encoding methods for graph representation, the emergence of…

Machine Learning · Computer Science 2024-09-16 Zhiqiang Zhong , Davide Mottin

Diffusion models have been widely used for conditional data cross-modal generation tasks such as text-to-image and text-to-video. However, state-of-the-art models still fail to align the generated visual concepts with high-level semantics…

Computer Vision and Pattern Recognition · Computer Science 2024-03-26 Zizhao Hu , Shaochong Jia , Mohammad Rostami

Retrieval augmented generation (RAG) has shown great power in improving Large Language Models (LLMs). However, most existing RAG-based LLMs are dedicated to retrieving single modality information, mainly text; while for many real-world…

Computation and Language · Computer Science 2025-06-09 Saptarshi Sengupta , Shuhua Yang , Paul Kwong Yu , Fali Wang , Suhang Wang

While large language models (LLMs) have integrated images, adapting them to graphs remains challenging, limiting their applications in materials and drug design. This difficulty stems from the need for coherent autoregressive generation…

Machine Learning · Computer Science 2024-10-08 Gang Liu , Michael Sun , Wojciech Matusik , Meng Jiang , Jie Chen