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Studying protein mutations within amino acid sequences holds tremendous significance in life sciences. Protein language models (PLMs) have demonstrated strong capabilities in broad biological applications. However, due to architectural…

Machine Learning · Computer Science 2024-10-31 Yizhen Luo , Zikun Nie , Massimo Hong , Suyuan Zhao , Hao Zhou , Zaiqing Nie

Accurately predicting molecular properties is a challenging but essential task in drug discovery. Recently, many mono-modal deep learning methods have been successfully applied to molecular property prediction. However, the inherent…

Machine Learning · Computer Science 2024-09-16 Xiaohua Lu , Liangxu Xie , Lei Xu , Rongzhi Mao , Shan Chang , Xiaojun Xu

Multimodal Large Models (MLLMs) have achieved remarkable progress in vision-language understanding and generation tasks. However, existing MLLMs typically rely on static modality fusion strategies, which treat all modalities equally…

Computer Vision and Pattern Recognition · Computer Science 2025-06-17 Hiroshi Tanaka , Anika Rao , Hana Satou , Michael Johnson , Sofia García

Grouping has been commonly used in deep metric learning for computing diverse features. However, current methods are prone to overfitting and lack interpretability. In this work, we propose an improved and interpretable grouping method to…

Computer Vision and Pattern Recognition · Computer Science 2021-08-26 Xinyi Xu , Zhengyang Wang , Cheng Deng , Hao Yuan , Shuiwang Ji

At present, attention mechanism has been widely applied to the fields of deep learning models. Structural models that based on attention mechanism can not only record the relationships between features position, but also can measure the…

Machine Learning · Computer Science 2021-05-12 Xiaolong Wei , LiFang Yang , Xianglin Huang , Gang Cao , Tao Zhulin , Zhengyang Du , Jing An

We present BioLangFusion, a simple approach for integrating pre-trained DNA, mRNA, and protein language models into unified molecular representations. Motivated by the central dogma of molecular biology (information flow from gene to…

Machine Learning · Computer Science 2025-06-11 Amina Mollaysa , Artem Moskale , Pushpak Pati , Tommaso Mansi , Mangal Prakash , Rui Liao

Deep-learning models based on whole-slide digital pathology images (WSIs) become increasingly popular for predicting molecular biomarkers. Instance-based models has been the mainstream strategy for predicting genetic alterations using WSIs…

Quantitative Methods · Quantitative Biology 2022-06-02 Bangwei Guo , Xingyu Li , Miaomiao Yang , Hong Zhang , Xu Steven Xu

Depression has been the leading cause of mental-health illness worldwide. Major depressive disorder (MDD), is a common mental health disorder that affects both psychologically as well as physically which could lead to loss of lives. Due to…

Computer Vision and Pattern Recognition · Computer Science 2019-09-05 Anupama Ray , Siddharth Kumar , Rutvik Reddy , Prerana Mukherjee , Ritu Garg

Prostate cancer biopsy benefits from accurate fusion of transrectal ultrasound (TRUS) and magnetic resonance (MR) images. In the past few years, convolutional neural networks (CNNs) have been proved powerful in extracting image features…

Computer Vision and Pattern Recognition · Computer Science 2021-07-13 Xinrui Song , Hengtao Guo , Xuanang Xu , Hanqing Chao , Sheng Xu , Baris Turkbey , Bradford J. Wood , Ge Wang , Pingkun Yan

Unified multimodal models (UMMs) achieve strong performance in both understanding and generation by learning a shared latent space, yet they often exhibit functional inconsistency between these two capabilities. We observe that this issue…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Yinyi Luo , Wenwen Wang , Hayes Bai , Marios Savvides , Jindong Wang

Composed of amino acid chains that influence how they fold and thus dictating their function and features, proteins are a class of macromolecules that play a central role in major biological processes and are required for the structure,…

Quantitative Methods · Quantitative Biology 2022-07-15 Aaron Wang

In protein engineering, while computational models are increasingly used to predict mutation effects, their evaluations primarily rely on high-throughput deep mutational scanning (DMS) experiments that use surrogate readouts, which may not…

Quantitative Methods · Quantitative Biology 2025-03-11 Liang Zhang , Hua Pang , Chenghao Zhang , Song Li , Yang Tan , Fan Jiang , Mingchen Li , Yuanxi Yu , Ziyi Zhou , Banghao Wu , Bingxin Zhou , Hao Liu , Pan Tan , Liang Hong

Major depressive disorder (MDD), a leading cause of disability and mortality, is associated with reward-processing abnormalities and concentration issues. Motivated by the probabilistic reward task from the Establishing Moderators and…

Methodology · Statistics 2026-02-23 Yuan Bian , Xingche Guo , Yuanjia Wang

While Large language models (LLMs) have proved able to address some complex reasoning tasks, we also know that they are highly sensitive to input variation, which can lead to different solution paths and final answers. Answer consistency…

Computation and Language · Computer Science 2025-03-05 Huiyuan Lai , Xiao Zhang , Malvina Nissim

Molecular dynamics (MD) is a central computational tool in physics, chemistry, and biology, enabling quantitative prediction of experimental observables as expectations over high-dimensional molecular distributions such as Boltzmann…

Machine Learning · Computer Science 2026-02-13 Panagiotis Antoniadis , Beatrice Pavesi , Simon Olsson , Ole Winther

This paper addresses the challenges of mining latent patterns and modeling contextual dependencies in complex sequence data. A sequence pattern mining algorithm is proposed by integrating Bidirectional Long Short-Term Memory (BiLSTM) with a…

Machine Learning · Computer Science 2025-04-22 Tao Yang , Yu Cheng , Yaokun Ren , Yujia Lou , Minggu Wei , Honghui Xin

Many methods have been developed to predict static protein structures, however understanding the dynamics of protein structure is essential for elucidating biological function. While molecular dynamics (MD) simulations remain the in silico…

Biomolecules · Quantitative Biology 2026-04-21 Mihir Bafna , Bowen Jing , Bonnie Berger

The increasing global prevalence of mental disorders, such as depression and PTSD, requires objective and scalable diagnostic tools. Traditional clinical assessments often face limitations in accessibility, objectivity, and consistency.…

Audio and Speech Processing · Electrical Eng. & Systems 2025-04-03 Abdelrahaman A. Hassan , Abdelrahman A. Ali , Aya E. Fouda , Radwa J. Hanafy , Mohammed E. Fouda

Accurate prediction of protein stability changes upon single-site variations (DDG) is important for protein design, as well as our understanding of the mechanism of genetic diseases. The performance of high-throughput computational methods…

Biomolecules · Quantitative Biology 2018-09-28 Ludovica Montanucci , Pier Luigi Martelli , Nir Ben-Tal , Piero Fariselli

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML…

Chemical Physics · Physics 2025-02-04 Ming Han , Ge Sun , Juan J. de Pablo