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State-of-the-art methods for protein-protein interaction (PPI) extraction are primarily feature-based or kernel-based by leveraging lexical and syntactic information. But how to incorporate such knowledge in the recent deep learning methods…

Computation and Language · Computer Science 2017-06-08 Yifan Peng , Zhiyong Lu

Large Language Models (LLMs) have achieved impressive performance across diverse tasks but continue to struggle with learning transitive relations, a cornerstone for complex planning. To address this issue, we investigate the Multi-Token…

Artificial Intelligence · Computer Science 2025-09-30 Qimin Zhong , Hao Liao , Siwei Wang , Mingyang Zhou , Xiaoqun Wu , Rui Mao , Wei Chen

Click-through rate (CTR) prediction plays as a core function module in various personalized online services. The traditional ID-based models for CTR prediction take as inputs the one-hot encoded ID features of tabular modality, which…

Information Retrieval · Computer Science 2024-10-31 Hangyu Wang , Jianghao Lin , Xiangyang Li , Bo Chen , Chenxu Zhu , Ruiming Tang , Weinan Zhang , Yong Yu

CD8+ "killer" T cells and CD4+ "helper" T cells play a central role in the adaptive immune system by recognizing antigens presented by Major Histocompatibility Complex (pMHC) molecules via T Cell Receptors (TCRs). Modeling binding between T…

Computational Engineering, Finance, and Science · Computer Science 2026-03-09 Jiarui Li , Zixiang Yin , Haley Smith , Zhengming Ding , Samuel J. Landry , Ramgopal R. Mettu

Physicochemically informed biological sequence generation has the potential to accelerate computer-aided cellular therapy, yet current models fail to \emph{jointly} ensure novelty, diversity, and biophysical plausibility when designing…

Computational Engineering, Finance, and Science · Computer Science 2025-10-08 Jiahao Ma , Hongzong Li , Ye-Fan Hu , Jian-Dong Huang

Many biological processes are governed by protein-ligand interactions. One such example is the recognition of self and nonself cells by the immune system. This immune response process is regulated by the major histocompatibility complex…

Quantitative Methods · Quantitative Biology 2017-04-14 Yeeleng Scott Vang , Xiaohui Xie

Click-through rate (CTR) prediction plays an important role in online advertising systems. On the one hand, traditional CTR prediction models capture the collaborative signals in tabular data via feature interaction modeling, but they lose…

Information Retrieval · Computer Science 2025-09-10 Rui Dong , Wentao Ouyang , Xiangzheng Liu

Researching the specificity of TCR contributes to the development of immunotherapy and provides new opportunities and strategies for personalized cancer immunotherapy. Therefore, we established a TCR generative specificity detection…

Quantitative Methods · Quantitative Biology 2024-07-30 Tengyao Tu , Wei Zeng , Kun Zhao , Zhenyu Zhang

Recent advances in Language Models have enabled the protein modeling community with a powerful tool since protein sequences can be represented as text. Specifically, by taking advantage of Transformers, sequence-to-property prediction will…

Biomolecules · Quantitative Biology 2023-09-07 Chakradhar Guntuboina , Adrita Das , Parisa Mollaei , Seongwon Kim , Amir Barati Farimani

Therapeutic peptides have emerged as a pivotal modality in modern drug discovery, occupying a chemically and topologically rich space. While accurate prediction of their physicochemical properties is essential for accelerating peptide…

Machine Learning · Computer Science 2025-12-30 Seungeon Lee , Takuto Koyama , Itsuki Maeda , Shigeyuki Matsumoto , Yasushi Okuno

Protein-protein interactions (PPIs) are fundamental to numerous cellular processes, and their characterization is vital for understanding disease mechanisms and guiding drug discovery. While protein language models (PLMs) have demonstrated…

Large language models (LLMs) have shown strong ability in generating rich representations across domains such as natural language processing and generation, computer vision, and multimodal learning. However, their application in biomedical…

Genomics · Quantitative Biology 2025-09-30 Luxuan Zhang , Douglas Jiang , Qinglong Wang , Haoqi Sun , Feng Tian

Predicting compound-protein affinity is critical for accelerating drug discovery. Recent progress made by machine learning focuses on accuracy but leaves much to be desired for interpretability. Through molecular contacts underlying…

Biomolecules · Quantitative Biology 2020-01-01 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

Antibodies comprise the most versatile class of binding molecules, with numerous applications in biomedicine. Computational design of antibodies involves generating novel and diverse sequences, while maintaining structural consistency.…

Biomolecules · Quantitative Biology 2023-06-21 Igor Melnyk , Vijil Chenthamarakshan , Pin-Yu Chen , Payel Das , Amit Dhurandhar , Inkit Padhi , Devleena Das

Although deep pre-trained language models have shown promising benefit in a large set of industrial scenarios, including Click-Through-Rate (CTR) prediction, how to integrate pre-trained language models that handle only textual signals into…

Computation and Language · Computer Science 2023-08-23 Dong Wang , Kavé Salamatian , Yunqing Xia , Weiwei Deng , Qi Zhiang

Protein language models (PLMs) learn contextual representations from protein sequences and are profoundly impacting various scientific disciplines spanning protein design, drug discovery, and structural predictions. One particular research…

Quantitative Methods · Quantitative Biology 2024-02-07 Andreas Dounas , Tudor-Stefan Cotet , Alexander Yermanos

Recently, heatmap regression has been widely explored in facial landmark detection and obtained remarkable performance. However, most of the existing heatmap regression-based facial landmark detection methods neglect to explore the…

Computer Vision and Pattern Recognition · Computer Science 2020-12-14 Jun Wan , Zhihui Lai , Jing Li , Jie Zhou , Can Gao

The biophysical interactions between the T cell receptor (TCR) and its ligands determine the specificity of the cellular immune response. However, the immense diversity of receptors and ligands has made it challenging to discover…

Messenger RNA (mRNA)-based vaccines are accelerating the discovery of new drugs and revolutionizing the pharmaceutical industry. However, selecting particular mRNA sequences for vaccines and therapeutics from extensive mRNA libraries is…

Quantitative Methods · Quantitative Biology 2024-12-23 Honggen Zhang , Xiangrui Gao , June Zhang , Lipeng Lai

Auto-Regressive (AR) models have recently gained prominence in image generation, often matching or even surpassing the performance of diffusion models. However, one major limitation of AR models is their sequential nature, which processes…

Computer Vision and Pattern Recognition · Computer Science 2025-03-04 Doohyuk Jang , Sihwan Park , June Yong Yang , Yeonsung Jung , Jihun Yun , Souvik Kundu , Sung-Yub Kim , Eunho Yang