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Related papers: Mol-LLM: Multimodal Generalist Molecular LLM with …

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Graph Neural Networks (GNNs) have been widely used in diverse brain network analysis tasks based on preprocessed functional magnetic resonance imaging (fMRI) data. However, their performances are constrained due to high feature sparsity and…

Machine Learning · Computer Science 2026-04-13 Rui Dong , Zitong Wang , Jiaxing Li , Weihuang Zheng , Youyong Kong

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

Large language models (LLMs) have presented significant opportunities to enhance various machine learning applications, including graph neural networks (GNNs). By leveraging the vast open-world knowledge within LLMs, we can more effectively…

Machine Learning · Computer Science 2025-02-18 Yuxia Wu , Shujie Li , Yuan Fang , Chuan Shi

The integration of Large Language Models (LLMs) with Graph Representation Learning (GRL) marks a significant evolution in analyzing complex data structures. This collaboration harnesses the sophisticated linguistic capabilities of LLMs to…

Machine Learning · Computer Science 2024-02-12 Qiheng Mao , Zemin Liu , Chenghao Liu , Zhuo Li , Jianling Sun

Graph mining is an important area in data mining and machine learning that involves extracting valuable information from graph-structured data. In recent years, significant progress has been made in this field through the development of…

Machine Learning · Computer Science 2024-12-30 Yuxin You , Zhen Liu , Xiangchao Wen , Yongtao Zhang , Wei Ai

Molecular representation learning is fundamental for many drug related applications. Most existing molecular pre-training models are limited in using single molecular modality, either SMILES or graph representation. To effectively leverage…

Machine Learning · Computer Science 2024-11-05 Shikun Feng , Lixin Yang , Yanwen Huang , Yuyan Ni , Weiying Ma , Yanyan Lan

We present MM1.5, a new family of multimodal large language models (MLLMs) designed to enhance capabilities in text-rich image understanding, visual referring and grounding, and multi-image reasoning. Building upon the MM1 architecture,…

Recently, Multimodal Large Language Models (MLLMs) have gained significant attention for their remarkable ability to process and analyze non-textual data, such as images, videos, and audio. Notably, several adaptations of general-domain…

Computer Vision and Pattern Recognition · Computer Science 2025-03-07 Wenhui Zhu , Xin Li , Xiwen Chen , Peijie Qiu , Vamsi Krishna Vasa , Xuanzhao Dong , Yanxi Chen , Natasha Lepore , Oana Dumitrascu , Yi Su , Yalin Wang

This study proposes LiP-LLM: integrating linear programming and dependency graph with large language models (LLMs) for multi-robot task planning. In order for multiple robots to perform tasks more efficiently, it is necessary to manage the…

Robotics · Computer Science 2024-10-29 Kazuma Obata , Tatsuya Aoki , Takato Horii , Tadahiro Taniguchi , Takayuki Nagai

Graphs are a widely used paradigm for representing non-Euclidean data, with applications ranging from social network analysis to biomolecular prediction. While graph learning has achieved remarkable progress, real-world graph data presents…

Pre-trained on extensive text and image corpora, current Multi-Modal Large Language Models (MLLM) have shown strong capabilities in general visual reasoning tasks. However, their performance is still lacking in physical domains that require…

Artificial Intelligence · Computer Science 2025-07-04 Erle Zhu , Yadi Liu , Zhe Zhang , Xujun Li , Jin Zhou , Xinjie Yu , Minlie Huang , Hongning Wang

The Multimodal Large Language Model (MLLM) is currently experiencing rapid growth, driven by the advanced capabilities of LLMs. Unlike earlier specialists, existing MLLMs are evolving towards a Multimodal Generalist paradigm. Initially…

Large Language Models (LLMs) have demonstrated remarkable capabilities in modeling sequential textual data and generalizing across diverse tasks. However, adapting LLMs to effectively handle structural data, such as knowledge graphs or web…

Computation and Language · Computer Science 2025-11-12 Jiarui Feng , Donghong Cai , Yixin Chen , Muhan Zhang

Recent advances in large language models (LLMs) have opened new avenues for multimodal reasoning. Yet, most existing methods still rely on pretrained vision-language models (VLMs) to encode image-text pairs in isolation, ignoring the…

Computer Vision and Pattern Recognition · Computer Science 2026-03-27 Yuanfu Sun , Kang Li , Pengkang Guo , Jiajin Liu , Qiaoyu Tan

Developments in Graph-Language Models (GLMs) aim to integrate the structural reasoning capabilities of Graph Neural Networks (GNNs) with the semantic understanding of Large Language Models (LLMs). However, we demonstrate that current…

Computation and Language · Computer Science 2025-08-29 Soham Petkar , Hari Aakash K , Anirudh Vempati , Akshit Sinha , Ponnurangam Kumarauguru , Chirag Agarwal

Predicting molecular properties with data-driven methods has drawn much attention in recent years. Particularly, Graph Neural Networks (GNNs) have demonstrated remarkable success in various molecular generation and prediction tasks. In…

Quantitative Methods · Quantitative Biology 2021-10-19 Zaixi Zhang , Qi Liu , Hao Wang , Chengqiang Lu , Chee-Kong Lee

Preference alignment has become a crucial component in enhancing the performance of Large Language Models (LLMs), yet its impact in Multimodal Large Language Models (MLLMs) remains comparatively underexplored. Similar to language models,…

Computer Vision and Pattern Recognition · Computer Science 2024-07-03 Elmira Amirloo , Jean-Philippe Fauconnier , Christoph Roesmann , Christian Kerl , Rinu Boney , Yusu Qian , Zirui Wang , Afshin Dehghan , Yinfei Yang , Zhe Gan , Peter Grasch

Designing functional transition metal complexes (TMCs) faces challenges due to the vast search space of metals and ligands, requiring efficient optimization strategies. Traditional genetic algorithms (GAs) are commonly used, employing…

Chemical Physics · Physics 2024-10-25 Jieyu Lu , Zhangde Song , Qiyuan Zhao , Yuanqi Du , Yirui Cao , Haojun Jia , Chenru Duan

We explore Multimodal Large Language Models (MLLMs), which integrate LLMs like GPT-4 to handle multimodal data, including text, images, audio, and more. MLLMs demonstrate capabilities such as generating image captions and answering…

Computation and Language · Computer Science 2025-01-09 Shezheng Song , Xiaopeng Li , Shasha Li , Shan Zhao , Jie Yu , Jun Ma , Xiaoguang Mao , Weimin Zhang

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