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In silico prediction of drug-target interactions (DTI) is significant for drug discovery because it can largely reduce timelines and costs in the drug development process. Specifically, deep learning-based DTI approaches have been shown…

Machine Learning · Computer Science 2021-09-20 Yeachan Kim , Bonggun Shin

Human-object interaction (HOI) detection as a downstream of object detection tasks requires localizing pairs of humans and objects and extracting the semantic relationships between humans and objects from an image. Recently, one-stage…

Computer Vision and Pattern Recognition · Computer Science 2021-12-17 Junwen Chen , Keiji Yanai

Accurate and robust drug response prediction is of utmost importance in precision medicine. Although many models have been developed to utilize the representations of drugs and cancer cell lines for predicting cancer drug responses (CDR),…

Quantitative Methods · Quantitative Biology 2023-11-22 Xiaoqiong Xia , Chaoyu Zhu , Yuqi Shan , Fan Zhong , Lei Liu

T cells are central to the adaptive immune response, capable of detecting pathogenic antigens while ignoring healthy tissues with remarkable specificity and sensitivity. Quantitatively understanding how T cell receptors (TCRs) discriminate…

Molecular Networks · Quantitative Biology 2025-11-25 François X. P. Bourassa , Sooraj Achar , Grégoire Altan-Bonnet , Paul François

Explainable Artificial Intelligence (XAI) is essential for the transparency and clinical adoption of Clinical Decision Support Systems (CDSS). However, the real-world effectiveness of existing XAI methods remains limited and is…

Machine Learning · Computer Science 2026-01-26 Alessandro Gambetti , Qiwei Han , Hong Shen , Claudia Soares

Transformer networks have achieved remarkable success across diverse domains, leveraging a variety of architectural innovations, including residual connections. However, traditional residual connections, which simply sum the outputs of…

Machine Learning · Computer Science 2025-07-25 Mike Heddes , Adel Javanmard , Kyriakos Axiotis , Gang Fu , MohammadHossein Bateni , Vahab Mirrokni

T cells monitor the health status of cells by identifying foreign peptides displayed on their surface. T-cell receptors (TCRs), which are protein complexes found on the surface of T cells, are able to bind to these peptides. This process is…

Quantitative Methods · Quantitative Biology 2023-03-07 Ziqi Chen , Martin Renqiang Min , Hongyu Guo , Chao Cheng , Trevor Clancy , Xia Ning

Motivation: The activity of the adaptive immune system is governed by T-cells and their specific T-cell receptors (TCR), which selectively recognize foreign antigens. Recent advances in experimental techniques have enabled sequencing of…

Biomolecules · Quantitative Biology 2023-08-28 Anna Weber , Jannis Born , María Rodríguez Martínez

Recently, machine learning (ML) has gained popularity in the early stages of drug discovery. This trend is unsurprising given the increasing volume of relevant experimental data and the continuous improvement of ML algorithms. However,…

Biomolecules · Quantitative Biology 2024-12-31 Regina Ibragimova , Dimitrios Iliadis , Willem Waegeman

While deep learning models play a crucial role in predicting antibody-antigen interactions (AAI), the scarcity of publicly available sequence-structure pairings constrains their generalization. Current AAI methods often focus on…

Machine Learning · Computer Science 2025-03-25 Peijin Guo , Minghui Li , Hewen Pan , Ruixiang Huang , Lulu Xue , Shengqing Hu , Zikang Guo , Wei Wan , Shengshan Hu

T cell receptors (TCRs) bind foreign or self-peptides attached to major histocompatibility complex (MHC) molecules, and the strength of this interaction determines T cell activation. Optimizing the ability of T cells to recognize a…

Populations and Evolution · Quantitative Biology 2018-03-23 Hanrong Chen , Arup K. Chakraborty , Mehran Kardar

Following the major successes of self-attention and Transformers for image analysis, we investigate the use of such attention mechanisms in the context of Image Quality Assessment (IQA) and propose a novel full-reference IQA method, Vision…

Computer Vision and Pattern Recognition · Computer Science 2021-10-06 Andrei Chubarau , James Clark

The attention module is the key component in Transformers. While the global attention mechanism offers high expressiveness, its excessive computational cost restricts its applicability in various scenarios. In this paper, we propose a novel…

Computer Vision and Pattern Recognition · Computer Science 2024-07-16 Dongchen Han , Tianzhu Ye , Yizeng Han , Zhuofan Xia , Siyuan Pan , Pengfei Wan , Shiji Song , Gao Huang

Understanding cellular mechanisms requires integrating information across DNA, RNA, and protein - the three molecular systems linked by the Central Dogma of molecular biology. While domain-specific foundation models have achieved success…

Machine Learning · Computer Science 2026-01-13 Nobuyuki Ota

The anti-cancer immune response relies on the bindings between T-cell receptors (TCRs) and antigens, which elicits adaptive immunity to eliminate tumor cells. This ability of the immune system to respond to novel various neoantigens arises…

Quantitative Methods · Quantitative Biology 2025-11-11 Xing Fang , Chenpeng Yu , Shiye Tian , Hui Liu

Attention is fundamental to cognition, yet it remains a challenge to understand attention in tasks approaching real-world complexity. Here, we approached this problem by modeling gaze patterns of monkeys playing Pac-Man. We first show a…

Neurons and Cognition · Quantitative Biology 2025-08-12 Zhongqiao Lin , Yunwei Li , Tianming Yang

International Classification of Disease (ICD) coding procedure which refers to tagging medical notes with diagnosis codes has been shown to be effective and crucial to the billing system in medical sector. Currently, ICD codes are assigned…

Computation and Language · Computer Science 2021-04-22 Biplob Biswas , Thai-Hoang Pham , Ping Zhang

Survival prediction, utilizing pathological images and genomic profiles, is increasingly important in cancer analysis and prognosis. Despite significant progress, precise survival analysis still faces two main challenges: (1) The massive…

Image and Video Processing · Electrical Eng. & Systems 2024-06-26 Songhan Jiang , Zhengyu Gan , Linghan Cai , Yifeng Wang , Yongbing Zhang

Major histocompatibility complex class two (MHC-II) molecules are trans-membrane proteins and key components of the cellular immune system. Upon recognition of foreign peptides expressed on the MHC-II binding groove, helper T cells mount an…

Quantitative Methods · Quantitative Biology 2017-12-05 A. M. Degoot , Faraimunashe Chirove , Wilfred Ndifon

Multimodal Diffusion Transformers (MM-DiTs) have achieved remarkable progress in text-driven visual generation. However, even state-of-the-art MM-DiT models like FLUX struggle with achieving precise alignment between text prompts and…

Computer Vision and Pattern Recognition · Computer Science 2025-07-24 Zhengyao Lv , Tianlin Pan , Chenyang Si , Zhaoxi Chen , Wangmeng Zuo , Ziwei Liu , Kwan-Yee K. Wong