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While Large Language Models (LLMs) have shown exceptional generalization capabilities, their ability to process graph data, such as molecular structures, remains limited. To bridge this gap, this paper proposes Graph2Token, an efficient…

Machine Learning · Computer Science 2025-03-11 Runze Wang , Mingqi Yang , Yanming Shen

Pretraining molecular representations is crucial for drug and material discovery. Recent methods focus on learning representations from geometric structures, effectively capturing 3D position information. Yet, they overlook the rich…

Machine Learning · Computer Science 2024-11-19 Teng Xiao , Chao Cui , Huaisheng Zhu , Vasant G. Honavar

Current multimodal and multitask foundation models like 4M or UnifiedIO show promising results, but in practice their out-of-the-box abilities to accept diverse inputs and perform diverse tasks are limited by the (usually rather small)…

Computer Vision and Pattern Recognition · Computer Science 2024-06-17 Roman Bachmann , Oğuzhan Fatih Kar , David Mizrahi , Ali Garjani , Mingfei Gao , David Griffiths , Jiaming Hu , Afshin Dehghan , Amir Zamir

Multimodal retrieval, which seeks to retrieve relevant content across modalities such as text or image, supports applications from AI search to contents production. Despite the success of separate-encoder approaches like CLIP align…

Computation and Language · Computer Science 2025-10-20 Qiyu Wu , Shuyang Cui , Satoshi Hayakawa , Wei-Yao Wang , Hiromi Wakaki , Yuki Mitsufuji

Leveraging multimodal information from Magnetic Resonance Imaging (MRI) plays a vital role in lesion segmentation, especially for brain tumors. However, in clinical practice, multimodal MRI data are often incomplete, making it challenging…

Computer Vision and Pattern Recognition · Computer Science 2026-01-01 Yulong Zou , Bo Liu , Cun-Jing Zheng , Yuan-ming Geng , Siyue Li , Qiankun Zuo , Shuihua Wang , Yudong Zhang , Jin Hong

Multimodal learning has mainly focused on learning large models on, and fusing feature representations from, different modalities for better performances on downstream tasks. In this work, we take a detour from this trend and study the…

Computer Vision and Pattern Recognition · Computer Science 2023-05-08 Yifeng Shi , Marc Niethammer

In recent years, the Transformer architecture has achieved outstanding performance across a wide range of tasks and modalities. Token is the unified input and output representation in Transformer-based models, which has become a fundamental…

Signal Processing · Electrical Eng. & Systems 2025-11-20 Jingkai Ying , Zhijin Qin , Yulong Feng , Liejun Wang , Xiaoming Tao

The design of target-specific molecules such as small molecules, peptides, and antibodies is vital for biological research and drug discovery. Existing generative methods are restricted to single-domain molecules, failing to address…

Machine Learning · Computer Science 2025-05-27 Xiangzhe Kong , Zishen Zhang , Ziting Zhang , Rui Jiao , Jianzhu Ma , Wenbing Huang , Kai Liu , Yang Liu

Representation Learning is a significant and challenging task in multimodal learning. Effective modality representations should contain two parts of characteristics: the consistency and the difference. Due to the unified multimodal…

Computation and Language · Computer Science 2021-02-10 Wenmeng Yu , Hua Xu , Ziqi Yuan , Jiele Wu

Deep learning models such as convolutional neural net- work have been widely used in 3D biomedical segmentation and achieve state-of-the-art performance. However, most of them often adapt a single modality or stack multiple modalities as…

Computer Vision and Pattern Recognition · Computer Science 2017-04-26 Kuan-Lun Tseng , Yen-Liang Lin , Winston Hsu , Chung-Yang Huang

We present a lightweight multimodal baseline for emotion recognition in conversations using the SemEval-2024 Task 3 dataset built from the sitcom Friends. The goal of this report is not to propose a novel state-of-the-art method, but to…

Computation and Language · Computer Science 2026-02-03 Víctor Yeste , Rodrigo Rivas-Arévalo

The remarkable success of Large Language Models (LLMs) across diverse tasks has driven the research community to extend their capabilities to molecular applications. However, most molecular LLMs employ adapter-based architectures that do…

Computation and Language · Computer Science 2025-06-24 Shuhan Guo , Yatao Bian , Ruibing Wang , Nan Yin , Zhen Wang , Quanming Yao

Predicting drug efficacy and safety in vivo requires information on biological responses (e.g., cell morphology and gene expression) to small molecule perturbations. However, current molecular representation learning methods do not provide…

Machine Learning · Computer Science 2024-10-04 Gang Liu , Srijit Seal , John Arevalo , Zhenwen Liang , Anne E. Carpenter , Meng Jiang , Shantanu Singh

Text-based foundation models have become an important part of scientific discovery, with molecular foundation models accelerating advancements in material science and molecular design.However, existing models are constrained by…

Machine Learning · Computer Science 2026-01-29 Alexius Wadell , Anoushka Bhutani , Venkatasubramanian Viswanathan

Molecular generation plays an important role in drug discovery and materials science, especially in data-scarce scenarios where traditional generative models often struggle to achieve satisfactory conditional generalization. To address this…

Machine Learning · Computer Science 2025-05-13 Zimo Yan , Jie Zhang , Zheng Xie , Chang Liu , Yizhen Liu , Yiping Song

Multimodal survival methods combining gigapixel histology whole-slide images (WSIs) and transcriptomic profiles are particularly promising for patient prognostication and stratification. Current approaches involve tokenizing the WSIs into…

Computer Vision and Pattern Recognition · Computer Science 2024-07-02 Andrew H. Song , Richard J. Chen , Guillaume Jaume , Anurag J. Vaidya , Alexander S. Baras , Faisal Mahmood

This paper presents a groundbreaking multimodal, multi-task, multi-teacher joint-grained knowledge distillation model for visually-rich form document understanding. The model is designed to leverage insights from both fine-grained and…

Computation and Language · Computer Science 2024-07-29 Yihao Ding , Lorenzo Vaiani , Caren Han , Jean Lee , Paolo Garza , Josiah Poon , Luca Cagliero

Existing 3D mask learning methods encounter performance bottlenecks under limited data, and our objective is to overcome this limitation. In this paper, we introduce a triple point masking scheme, named TPM, which serves as a scalable…

Computer Vision and Pattern Recognition · Computer Science 2024-10-16 Jiaming Liu , Linghe Kong , Yue Wu , Maoguo Gong , Hao Li , Qiguang Miao , Wenping Ma , Can Qin

Scaling large multimodal models (LMMs) to 3D understanding poses unique challenges: point cloud data is sparse and irregular, existing models rely on fragmented architectures with modality-specific encoders, and training pipelines often…

Computer Vision and Pattern Recognition · Computer Science 2025-12-16 Yongyuan Liang , Xiyao Wang , Yuanchen Ju , Jianwei Yang , Furong Huang

Encoding the electronic structure of molecules using 2-electron reduced density matrices (2RDMs) as opposed to many-body wave functions has been a decades-long quest as the 2RDM contains sufficient information to compute the exact molecular…

Chemical Physics · Physics 2022-08-11 David Pekker , Chungwen Liang , Sankha Pattanayak , Swagatam Mukhopadhyay
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