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Accurately predicting antibody-antigen binding residues, i.e., paratopes and epitopes, is crucial in antibody design. However, existing methods solely focus on uni-modal data (either sequence or structure), disregarding the complementary…

Biomolecules · Quantitative Biology 2024-06-03 Zhiwei Wang , Yongkang Wang , Wen Zhang

Accurate extraction of molecular representations is a critical step in the drug discovery process. In recent years, significant progress has been made in molecular representation learning methods, among which multi-modal molecular…

Machine Learning · Computer Science 2025-05-13 Rong Yin , Ruyue Liu , Xiaoshuai Hao , Xingrui Zhou , Yong Liu , Can Ma , Weiping Wang

The quest for accurate prediction of drug molecule properties poses a fundamental challenge in the realm of Artificial Intelligence Drug Discovery (AIDD). An effective representation of drug molecules emerges as a pivotal component in this…

Machine Learning · Computer Science 2024-04-22 Zhuoyuan Wang , Jiacong Mi , Shan Lu , Jieyue He

Multi-modal entity alignment aims to identify equivalent entities between two different multi-modal knowledge graphs, which consist of structural triples and images associated with entities. Most previous works focus on how to utilize and…

Computation and Language · Computer Science 2022-09-05 Zhenxi Lin , Ziheng Zhang , Meng Wang , Yinghui Shi , Xian Wu , Yefeng Zheng

Multimodal deep learning for cancer prognosis is commonly assumed to benefit from synergistic cross-modal interactions, yet this assumption has not been directly tested in survival prediction settings. This work adapts InterSHAP, a Shapley…

Machine Learning · Computer Science 2026-04-15 Iain Swift , JingHua Ye , Ruairi O'Reilly

Multimodal AI models have achieved impressive performance in tasks that require integrating information from multiple modalities, such as vision and language. However, their "black-box" nature poses a major barrier to deployment in…

Artificial Intelligence · Computer Science 2026-02-18 Zhanliang Wang , Kai Wang

Antibody binding site prediction plays a pivotal role in computational immunology and therapeutic antibody design. Existing sequence or structure methods rely on single-view features and fail to identify antibody-specific binding sites on…

Machine Learning · Computer Science 2025-09-12 Hongzong Li , Jiahao Ma , Zhanpeng Shi , Rui Xiao , Fanming Jin , Ye-Fan Hu , Hangjun Che , Jian-Dong Huang

Recent advances and achievements of artificial intelligence (AI) as well as deep and graph learning models have established their usefulness in biomedical applications, especially in drug-drug interactions (DDIs). DDIs refer to a change in…

Understanding the relationship between antibody sequence, structure and function is essential for the design of antibody-based therapeutics and research tools. Recently, machine learning (ML) models mostly based on the application of large…

Quantitative Methods · Quantitative Biology 2025-10-29 Kevin Michalewicz , Mauricio Barahona , Barbara Bravi

Obtaining common representations from different modalities is important in that they are interchangeable with each other in a classification problem. For example, we can train a classifier on image features in the common representations and…

Machine Learning · Computer Science 2016-12-30 Kuniaki Saito , Yusuke Mukuta , Yoshitaka Ushiku , Tatsuya Harada

Therapeutic antibody development has become an increasingly popular approach for drug development. To date, antibody therapeutics are largely developed using large scale experimental screens of antibody libraries containing hundreds of…

Quantitative Methods · Quantitative Biology 2022-10-07 Lin Li , Esther Gupta , John Spaeth , Leslie Shing , Tristan Bepler , Rajmonda Sulo Caceres

Multimodal Emotion Recognition (MER) aims to perceive human emotions through three modes: language, vision, and audio. Previous methods primarily focused on modal fusion without adequately addressing significant distributional differences…

Computer Vision and Pattern Recognition · Computer Science 2026-01-07 Jichao Zhu , Jun Yu

Modality representation learning is an important problem for multimodal sentiment analysis (MSA), since the highly distinguishable representations can contribute to improving the analysis effect. Previous works of MSA have usually focused…

Multimedia · Computer Science 2023-01-31 Peipei Liu , Xin Zheng , Hong Li , Jie Liu , Yimo Ren , Hongsong Zhu , Limin Sun

With the release of increasing open-source emotion recognition datasets on social media platforms and the rapid development of computing resources, multimodal emotion recognition tasks (MER) have begun to receive widespread research…

Computation and Language · Computer Science 2024-09-04 Yuntao Shou , Tao Meng , Wei Ai , Nan Yin , Keqin Li

Current adversarial attacks for evaluating the robustness of vision-language pre-trained (VLP) models in multi-modal tasks suffer from limited transferability, where attacks crafted for a specific model often struggle to generalize…

Computer Vision and Pattern Recognition · Computer Science 2025-03-04 Peng-Fei Zhang , Guangdong Bai , Zi Huang

Integrating AI in healthcare can greatly improve patient care and system efficiency. However, the lack of explainability in AI systems (XAI) hinders their clinical adoption, especially in multimodal settings that use increasingly complex…

Machine Learning · Computer Science 2025-04-18 Laura Wenderoth , Konstantin Hemker , Nikola Simidjievski , Mateja Jamnik

The high binding affinity of antibodies towards their cognate targets is key to eliciting effective immune responses, as well as to the use of antibodies as research and therapeutic tools. Here, we propose ANTIPASTI, a Convolutional Neural…

Quantitative Methods · Quantitative Biology 2024-10-03 Kevin Michalewicz , Mauricio Barahona , Barbara Bravi

Drug-drug interaction(DDI) prediction is an important task in the medical health machine learning community. This study presents a new method, multi-view graph contrastive representation learning for drug-drug interaction prediction,…

Machine Learning · Computer Science 2021-04-13 Yingheng Wang , Yaosen Min , Xin Chen , Ji Wu

Medical multimodal representation learning aims to integrate heterogeneous data into unified patient representations to support clinical outcome prediction. However, real-world medical datasets commonly contain systematic biases from…

Machine Learning · Computer Science 2026-05-19 Xiaoguang Zhu , Linxiao Gong , Lianlong Sun , Yang Liu , Haoyu Wang , Jing Liu

Understanding multimodal perception for embodied AI is an open question because such inputs may contain highly complementary as well as redundant information for the task. A relevant direction for multimodal policies is understanding the…

Machine Learning · Computer Science 2023-07-27 Vidhi Jain , Jayant Sravan Tamarapalli , Sahiti Yerramilli , Yonatan Bisk
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