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相关论文: ChemDFM-X: Towards Large Multimodal Model for Chem…

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As a prominent direction of Artificial General Intelligence (AGI), Multimodal Large Language Models (MLLMs) have garnered increased attention from both industry and academia. Building upon pre-trained LLMs, this family of models further…

计算机视觉与模式识别 · 计算机科学 2024-12-10 Chaoyou Fu , Yi-Fan Zhang , Shukang Yin , Bo Li , Xinyu Fang , Sirui Zhao , Haodong Duan , Xing Sun , Ziwei Liu , Liang Wang , Caifeng Shan , Ran He

Emerging multimodal large language models (MLLMs) exhibit great potential for chart question answering (CQA). Recent efforts primarily focus on scaling up training datasets (i.e., charts, data tables, and question-answer (QA) pairs) through…

计算机视觉与模式识别 · 计算机科学 2024-08-13 Xingchen Zeng , Haichuan Lin , Yilin Ye , Wei Zeng

Accurate prediction of the physicochemical properties of molecular mixtures using graph neural networks remains a significant challenge, as it requires simultaneous embedding of intramolecular interactions while accounting for mixture…

化学物理 · 物理学 2026-03-04 Jinming Fan , Chao Qian , Wilhelm T. S. Huck , William E. Robinson , Shaodong Zhou

Large language models (LLMs) have achieved remarkable performance on diverse benchmarks, yet existing evaluation practices largely rely on coarse summary metrics that obscure underlying reasoning abilities. In this work, we propose novel…

统计方法学 · 统计学 2026-03-17 Jia Liu , Zhiyu Xu , Yuqi Gu

Medical Decision-Making (MDM) is a multi-faceted process that requires clinicians to assess complex multi-modal patient data patient, often collaboratively. Large Language Models (LLMs) promise to streamline this process by synthesizing…

Large Multimodal Models (LMMs) have achieved significant breakthroughs in various vision-language and vision-centric tasks based on auto-regressive modeling. However, these models typically focus on either vision-centric tasks, such as…

计算机视觉与模式识别 · 计算机科学 2024-10-22 Yufei Zhan , Hongyin Zhao , Yousong Zhu , Fan Yang , Ming Tang , Jinqiao Wang

Chemical reaction prediction is pivotal for accelerating drug discovery and synthesis planning. Despite advances in data-driven models, current approaches are hindered by an overemphasis on parameter and dataset scaling. Some methods…

机器学习 · 计算机科学 2026-03-04 Ran Li , Shimin Di , Haowei LI , Luanshi Bu , Jiachuan Wang , Wangze Ni , Lei Chen

The rapid expansion of chemistry literature poses significant challenges for researchers seeking to efficiently access domain-specific knowledge. To support advancements in chemistry-focused natural language processing (NLP), we present…

人工智能 · 计算机科学 2025-06-16 Mahmoud Amiri , Thomas Bocklitz

This paper aims to design a unified Computer-Aided Design (CAD) generation system that can easily generate CAD models based on the user's inputs in the form of textual description, images, point clouds, or even a combination of them.…

计算机视觉与模式识别 · 计算机科学 2025-08-06 Jingwei Xu , Chenyu Wang , Zibo Zhao , Wen Liu , Yi Ma , Shenghua Gao

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…

计算与语言 · 计算机科学 2024-05-14 Shuo Zhang , Biao Yang , Zhang Li , Zhiyin Ma , Yuliang Liu , Xiang Bai

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…

计算与语言 · 计算机科学 2024-10-10 Soyeon Caren Han , Feiqi Cao , Josiah Poon , Roberto Navigli

Accurate channel prediction is essential in massive multiple-input multiple-output (m-MIMO) systems to improve precoding effectiveness and reduce the overhead of channel state information (CSI) feedback. However, existing methods often…

信号处理 · 电气工程与系统科学 2025-11-18 Zhaoyang Li , Qianqian Yang , Zehui Xiong , Zhiguo Shi , Tony Q. S. Quek

Human expertise in chemistry and biomedicine relies on contextual molecular understanding, a capability that large language models (LLMs) can extend through fine-grained alignment between molecular structures and text. Recent multimodal…

计算与语言 · 计算机科学 2025-03-10 Sumin Ha , Jun Hyeong Kim , Yinhua Piao , Sun Kim

Automated knowledge discovery from trending chemical literature is essential for more efficient biomedical research. How to extract detailed knowledge about chemical reactions from the core chemistry literature is a new emerging challenge…

计算与语言 · 计算机科学 2021-08-31 Chenkai Sun , Weijiang Li , Jinfeng Xiao , Nikolaus Nova Parulian , ChengXiang Zhai , Heng Ji

In recent years, AI models that mine intrinsic patterns from molecular structures and protein sequences have shown promise in accelerating drug discovery. However, these methods partly lag behind real-world pharmaceutical approaches of…

机器学习 · 计算机科学 2023-10-17 Yizhen Luo , Xing Yi Liu , Kai Yang , Kui Huang , Massimo Hong , Jiahuan Zhang , Yushuai Wu , Zaiqing Nie

Deep Learning has implemented a wide range of applications and has become increasingly popular in recent years. The goal of multimodal deep learning (MMDL) is to create models that can process and link information using various modalities.…

机器学习 · 计算机科学 2022-02-21 Jabeen Summaira , Xi Li , Amin Muhammad Shoib , Jabbar Abdul

This study presents a multimodal AI framework designed for precisely classifying medical diagnostic images. Utilizing publicly available datasets, the proposed system compares the strengths of convolutional neural networks (CNNs) and…

图像与视频处理 · 电气工程与系统科学 2025-06-04 Shibbir Ahmed , Shahnewaz Karim Sakib , Anindya Bijoy Das

Large Language Models (LLMs) are widely used across various scenarios due to their exceptional reasoning capabilities and natural language understanding. While LLMs demonstrate strong performance in tasks involving mathematics and coding,…

人工智能 · 计算机科学 2025-06-03 Xinyi Liu , Lipeng Ma , Yixuan Li , Weidong Yang , Qingyuan Zhou , Jiayi Song , Shuhao Li , Ben Fei

Density Functional Theory (DFT) has been a cornerstone in computational science, providing powerful insights into structure-property relationships for molecules and materials through first-principles quantum-mechanical (QM) calculations.…

化学物理 · 物理学 2024-08-13 Yicheng Chen , Wenjie Yan , Zhanfeng Wang , Jianming Wu , Xin Xu
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