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Computational protein design (CPD) refers to the use of computational methods to design proteins. Traditional methods relying on energy functions and heuristic algorithms for sequence design are inefficient and do not meet the demands of…

Machine Learning · Computer Science 2024-10-30 Xiaoqi Ling , Cheng Cai , Demin Kong , Zhisheng Wei , Jing Wu , Lei Wang , Zhaohong Deng

The integration of multi-modal Magnetic Resonance Imaging (MRI) and clinical data holds great promise for enhancing the diagnosis of neurological disorders (NDs) in real-world clinical settings. Deep Learning (DL) has recently emerged as a…

Image and Video Processing · Electrical Eng. & Systems 2025-06-19 Wajih Hassan Raza , Aamir Bader Shah , Yu Wen , Yidan Shen , Juan Diego Martinez Lemus , Mya Caryn Schiess , Timothy Michael Ellmore , Renjie Hu , Xin Fu

The recent advancement of pre-trained Transformer models has propelled the development of effective text mining models across various biomedical tasks. However, these models are primarily learned on the textual data and often lack the…

Computation and Language · Computer Science 2021-07-02 Sriram Pingali , Shweta Yadav , Pratik Dutta , Sriparna Saha

Managing fluid balance in dialysis patients is crucial, as improper management can lead to severe complications. In this paper, we propose a multimodal approach that integrates visual features from lung ultrasound images with clinical data…

Image and Video Processing · Electrical Eng. & Systems 2024-10-04 Tianqi Yang , Nantheera Anantrasirichai , Oktay Karakuş , Marco Allinovi , Alin Achim

Single domain generalization (SDG) has recently attracted growing attention in medical image segmentation. One promising strategy for SDG is to leverage consistent semantic shape priors across different imaging protocols, scanner vendors,…

Computer Vision and Pattern Recognition · Computer Science 2025-04-15 Jia Wei , Xiaoqi Zhao , Jonghye Woo , Jinsong Ouyang , Georges El Fakhri , Qingyu Chen , Xiaofeng Liu

The identification of bitter peptides is crucial in various domains, including food science, drug discovery, and biochemical research. These peptides not only contribute to the undesirable taste of hydrolyzed proteins but also play key…

Quantitative Methods · Quantitative Biology 2025-10-30 Sarfraz Ahmad , Momina Ahsan , Muhammad Nabeel Asim , Andreas Dengel , Muhammad Imran Malik

Molecular representation learning is vital for various downstream applications, including the analysis and prediction of molecular properties and side effects. While Graph Neural Networks (GNNs) have been a popular framework for modeling…

Machine Learning · Computer Science 2025-02-18 Pengcheng Jiang , Cao Xiao , Tianfan Fu , Parminder Bhatia , Taha Kass-Hout , Jimeng Sun , Jiawei Han

Effectively medication recommendation with complex multimorbidity conditions is a critical task in healthcare. Most existing works predicted medications based on longitudinal records, which assumed the information transmitted patterns of…

Machine Learning · Computer Science 2023-09-13 Sicen Liu , Xiaolong Wang , JIngcheng Du , Yongshuai Hou , Xianbing Zhao , Hui Xu , Hui Wang , Yang Xiang , Buzhou Tang

Recent advances in protein language models have catalyzed significant progress in peptide sequence representation. Despite extensive exploration in this field, pre-trained models tailored for peptide-specific needs remain largely…

Machine Learning · Computer Science 2024-01-23 Ruochi Zhang , Haoran Wu , Chang Liu , Huaping Li , Yuqian Wu , Kewei Li , Yifan Wang , Yifan Deng , Jiahui Chen , Fengfeng Zhou , Xin Gao

Models that accurately predict properties based on chemical structure are valuable tools in drug discovery. However, for many properties, public and private training sets are typically small, and it is difficult for the models to generalize…

Quantitative Methods · Quantitative Biology 2022-11-08 Oscar Méndez-Lucio , Christos Nicolaou , Berton Earnshaw

Multi-modal data in Earth Observation (EO) presents a huge opportunity for improving transfer learning capabilities when pre-training deep learning models. Unlike prior work that often overlooks multi-modal EO data, recent methods have…

Computer Vision and Pattern Recognition · Computer Science 2025-05-22 Jose Sosa , Danila Rukhovich , Anis Kacem , Djamila Aouada

The discovery of peptides having high biological activity is very challenging mainly because there is an enormous diversity of compounds and only a minority have the desired properties. To lower cost and reduce the time to obtain promising…

Quantitative Methods · Quantitative Biology 2014-04-11 Sébastien Giguère , François Laviolette , Mario Marchand , Denise Tremblay , Sylvain Moineau , Éric Biron , Jacques Corbeil

Antibodies are a critical part of the immune system, having the function of directly neutralising or tagging undesirable objects (the antigens) for future destruction. Being able to predict which amino acids belong to the paratope, the…

Machine Learning · Statistics 2020-04-14 Andreea Deac , Petar Veličković , Pietro Sormanni

Peptides offer great biomedical potential and serve as promising drug candidates. Currently, the majority of approved peptide drugs are directly derived from well-explored natural human peptides. It is quite necessary to utilize advanced…

Biomolecules · Quantitative Biology 2024-01-29 Yipin Lei , Xu Wang , Meng Fang , Han Li , Xiang Li , Jianyang Zeng

The Mixture of Experts (MoE) model becomes an important choice of large language models nowadays because of its scalability with sublinear computational complexity for training and inference. However, existing MoE models suffer from two…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-04-25 Xin Chen , Hengheng Zhang , Xiaotao Gu , Kaifeng Bi , Lingxi Xie , Qi Tian

Joint understanding of video and language is an active research area with many applications. Prior work in this domain typically relies on learning text-video embeddings. One difficulty with this approach, however, is the lack of…

Computer Vision and Pattern Recognition · Computer Science 2020-01-17 Antoine Miech , Ivan Laptev , Josef Sivic

Multimodal understanding of tables in real-world contexts is challenging due to the complexity of structure, symbolic density, and visual degradation (blur, skew, watermarking, incomplete structures or fonts, multi-span or hierarchically…

Artificial Intelligence · Computer Science 2025-06-27 Junwen Zhang , Pu Chen , Yin Zhang

Sparse Mixture of Experts (SMoE) has emerged as a promising solution to achieving unparalleled scalability in deep learning by decoupling model parameter count from computational cost. By activating only a small subset of parameters per…

Machine Learning · Computer Science 2025-10-21 Minh-Khoi Nguyen-Nhat , Rachel S. Y. Teo , Laziz Abdullaev , Maurice Mok , Viet-Hoang Tran , Tan Minh Nguyen

The inherent multimodality and heterogeneous temporal structures of medical data pose significant challenges for modeling. We propose MedM2T, a time-aware multimodal framework designed to address these complexities. MedM2T integrates: (i)…

Machine Learning · Computer Science 2026-03-26 Yu-Chen Kuo , Yi-Ju Tseng

Supervised multi-modal learning involves mapping multiple modalities to a target label. Previous studies in this field have concentrated on capturing in isolation either the inter-modality dependencies (the relationships between different…

Computer Vision and Pattern Recognition · Computer Science 2024-12-09 Divyam Madaan , Taro Makino , Sumit Chopra , Kyunghyun Cho