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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

The latest biological findings observe that the traditional motionless 'lock-and-key' theory is not generally applicable because the receptor and ligand are constantly moving. Nonetheless, remarkable changes in associated atomic sites and…

Computational Engineering, Finance, and Science · Computer Science 2023-11-01 Fang Wu , Shuting Jin , Yinghui Jiang , Xurui Jin , Bowen Tang , Zhangming Niu , Xiangrong Liu , Qiang Zhang , Xiangxiang Zeng , Stan Z. Li

Alzheimer's disease (AD) is a progressive neurodegenerative condition necessitating early and precise diagnosis to provide prompt clinical management. Given the paramount importance of early diagnosis, recent studies have increasingly…

Machine Learning · Computer Science 2026-02-18 Fatemeh Khalvandi , Saadat Izadi , Abdolah Chalechale

Adversarial training is a useful approach to promote the learning of transferable representations across the source and target domains, which has been widely applied for domain adaptation (DA) tasks based on deep neural networks. Until very…

Machine Learning · Computer Science 2020-03-31 Zeya Wang , Baoyu Jing , Yang Ni , Nanqing Dong , Pengtao Xie , Eric P. Xing

Advancements in deep generative models have enabled the joint modeling of antibody sequence and structure, given the antigen-antibody complex as context. However, existing approaches for optimizing complementarity-determining regions (CDRs)…

Machine Learning · Computer Science 2025-08-18 Yinghua Yao , Yuangang Pan , Xixian Chen

Learning-based methods have become increasingly popular for solving vehicle routing problems due to their near-optimal performance and fast inference speed. Among them, the combination of deep reinforcement learning and graph representation…

Machine Learning · Computer Science 2024-05-22 Zhenwei Wang , Ruibin Bai , Fazlullah Khan , Ender Ozcan , Tiehua Zhang

Recent neural solvers have achieved strong performance on vehicle routing problems (VRPs), yet they mainly assume symmetric Euclidean distances, restricting applicability to real-world scenarios. A core challenge is encoding the relational…

Machine Learning · Computer Science 2026-03-06 Hang Yi , Ziwei Huang , Yining Ma , Zhiguang Cao

Recent advances in diffusion models have shown remarkable potential for antibody design, yet existing approaches apply uniform generation strategies that cannot adapt to each antigen's unique requirements. Inspired by B cell affinity…

Machine Learning · Computer Science 2025-08-19 Hanqi Feng , Peng Qiu , Mengchun Zhang , Yiran Tao , You Fan , Jingtao Xu , Barnabas Poczos

Domain adaptation is critical for success in new, unseen environments. Adversarial adaptation models applied in feature spaces discover domain invariant representations, but are difficult to visualize and sometimes fail to capture…

Computer Vision and Pattern Recognition · Computer Science 2018-01-01 Judy Hoffman , Eric Tzeng , Taesung Park , Jun-Yan Zhu , Phillip Isola , Kate Saenko , Alexei A. Efros , Trevor Darrell

Context-specific Bayesian networks (i.e. directed acyclic graphs, DAGs) identify context-dependent relationships between variables, but the non-convexity induced by the acyclicity requirement makes it difficult to share information between…

Machine Learning · Statistics 2021-11-02 Ben Lengerich , Caleb Ellington , Bryon Aragam , Eric P. Xing , Manolis Kellis

Graph Anomaly Detection (GAD) is critical in security-sensitive domains, yet faces reliability challenges: miscalibrated confidence estimation (underconfidence in normal nodes, overconfidence in anomalies), adversarial vulnerability of…

Machine Learning · Computer Science 2025-04-04 Songran Bai , Xiaolong Zheng , Daniel Dajun Zeng

In recent years, neural networks have become the default choice for image classification and many other learning tasks, even though they are vulnerable to so-called adversarial attacks. To increase their robustness against these attacks,…

Machine Learning · Computer Science 2020-02-10 Hasan Ferit Eniser , Maria Christakis , Valentin Wüstholz

Due to its powerful capability of self-supervised representation learning and clustering, contrastive attributed graph clustering (CAGC) has achieved great success, which mainly depends on effective data augmentation and contrastive…

Machine Learning · Computer Science 2025-10-06 Tianxiang Zhao , Youqing Wang , Jinlu Wang , Jiapu Wang , Mingliang Cui , Junbin Gao , Jipeng Guo

Due to the scarcity and unpredictable nature of defect samples, industrial anomaly detection (IAD) predominantly employs unsupervised learning. However, all unsupervised IAD methods face a common challenge: the inherent bias in normal…

Computer Vision and Pattern Recognition · Computer Science 2024-12-12 Xin Chen , Liujuan Cao , Shengchuan Zhang , Xiewu Zheng , Yan Zhang

Automatic generation of medical reports from X-ray images can assist radiologists to perform the time-consuming and yet important reporting task. Yet, achieving clinically accurate generated reports remains challenging. Modeling the…

Computer Vision and Pattern Recognition · Computer Science 2022-07-06 Sixing Yan , William K. Cheung , Keith Chiu , Terence M. Tong , Charles K. Cheung , Simon See

This paper focuses on high-transferable adversarial attacks on detectors, which are hard to attack in a black-box manner, because of their multiple-output characteristics and the diversity across architectures. To pursue a high attack…

Computer Vision and Pattern Recognition · Computer Science 2021-11-24 Sizhe Chen , Fan He , Xiaolin Huang , Kun Zhang

Predicting the binding free energy between antibodies and antigens is a key challenge in structure-aware biomolecular modeling, with direct implications for antibody design. Most existing methods either rely solely on sequence embeddings or…

Biomolecules · Quantitative Biology 2025-08-28 Ciyuan Yu , Hongzong Li , Jiahao Ma , Shiqin Tang , Ye-Fan Hu , Jian-Dong Huang

Unsupervised graph anomaly detection is crucial for various practical applications as it aims to identify anomalies in a graph that exhibit rare patterns deviating significantly from the majority of nodes. Recent advancements have utilized…

Machine Learning · Computer Science 2023-12-12 Yuanchen Bei , Sheng Zhou , Qiaoyu Tan , Hao Xu , Hao Chen , Zhao Li , Jiajun Bu

Electrocardiogram (ECG) acquisition requires an automated system and analysis pipeline for understanding specific rhythm irregularities. Deep neural networks have become a popular technique for tracing ECG signals, outperforming human…

Artificial Intelligence (AI) plays a key role in developing 6G networks. While current specifications already include Network Data Analytics Function (NWDAF) as a network element responsible for providing information about the core, a more…

Networking and Internet Architecture · Computer Science 2025-07-25 Daniel Ricardo Cunha Oliveira , Rodrigo Moreira , Flávio de Oliveira Silva
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