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Antigen-antibody binding is a critical process in the immune response. Although recent progress has advanced antibody design, current methods lack a generative framework for end-to-end modeling of full-atom antibody structures and struggle…

Quantitative Methods · Quantitative Biology 2026-02-10 Wenda Wang , Yang Zhang , Zhewei Wei , Wenbing Huang

It remains a challenging task to generate a vast variety of novel compounds with desirable pharmacological properties. In this work, a generative network complex (GNC) is proposed as a new platform for designing novel compounds, predicting…

Biomolecules · Quantitative Biology 2019-11-01 Christopher Grow , Kaifu Gao , Duc Duy Nguyen , Guo-Wei Wei

Deep clustering as an important branch of unsupervised representation learning focuses on embedding semantically similar samples into the identical feature space. This core demand inspires the exploration of contrastive learning and…

Computer Vision and Pattern Recognition · Computer Science 2024-04-16 Haifeng Xia , Hai Huang , Zhengming Ding

High throughput immune repertoire sequencing is promising to lead to new statistical diagnostic tools for medicine and biology. Successful implementations of these methods require a correct characterization, analysis and interpretation of…

Genomics · Quantitative Biology 2018-04-13 Quentin Marcou , Thierry Mora , Aleksandra M Walczak

Synthetic image generation has opened up new opportunities but has also created threats in regard to privacy, authenticity, and security. Detecting fake images is of paramount importance to prevent illegal activities, and previous research…

Computer Vision and Pattern Recognition · Computer Science 2023-02-27 Md Awsafur Rahman , Bishmoy Paul , Najibul Haque Sarker , Zaber Ibn Abdul Hakim , Shaikh Anowarul Fattah

The study of ancient writings has great value for archaeology and philology. Essential forms of material are photographic characters, but manual photographic character recognition is extremely time-consuming and expertise-dependent.…

Computer Vision and Pattern Recognition · Computer Science 2023-03-14 Hongxiang Huang , Daihui Yang , Gang Dai , Zhen Han , Yuyi Wang , Kin-Man Lam , Fan Yang , Shuangping Huang , Yongge Liu , Mengchao He

Although substantial efforts have been made using graph neural networks (GNNs) for AI-driven drug discovery (AIDD), effective molecular representation learning remains an open challenge, especially in the case of insufficient labeled…

Machine Learning · Computer Science 2023-11-07 Zhen Wang , Zheng Feng , Yanjun Li , Bowen Li , Yongrui Wang , Chulin Sha , Min He , Xiaolin Li

Antibodies, crucial for immune defense, primarily rely on complementarity-determining regions (CDRs) to bind and neutralize antigens, such as viruses. The design of these CDRs determines the antibody's affinity and specificity towards its…

Quantitative Methods · Quantitative Biology 2024-09-10 Paulina Kulytė , Francisco Vargas , Simon Valentin Mathis , Yu Guang Wang , José Miguel Hernández-Lobato , Pietro Liò

Performing recognition tasks using latent fingerprint samples is often challenging for automated identification systems due to poor quality, distortion, and partially missing information from the input samples. We propose a direct latent…

Computer Vision and Pattern Recognition · Computer Science 2018-08-02 Ali Dabouei , Sobhan Soleymani , Hadi Kazemi , Seyed Mehdi Iranmanesh , Jeremy Dawson , Nasser M. Nasrabadi

T-cell receptors (TCR) are key proteins of the adaptive immune system, generated randomly in each individual, whose diversity underlies our ability to recognize infections and malignancies. Modeling the distribution of TCR sequences is of…

Quantitative Methods · Quantitative Biology 2020-07-01 Giulio Isacchini , Zachary Sethna , Yuval Elhanati , Armita Nourmohammad , Aleksandra M. Walczak , Thierry Mora

Generation of images containing multiple humans, performing complex actions, while preserving their facial identities, is a significant challenge. A major factor contributing to this is the lack of a dedicated benchmark. To address this, we…

Computer Vision and Pattern Recognition · Computer Science 2026-01-23 Shubhankar Borse , Seokeon Choi , Sunghyun Park , Jeongho Kim , Shreya Kadambi , Risheek Garrepalli , Sungrack Yun , Munawar Hayat , Fatih Porikli

Understanding and modeling the dynamics of human gaze behavior in 360$^\circ$ environments is a key challenge in computer vision and virtual reality. Generative adversarial approaches could alleviate this challenge by generating a large…

Computer Vision and Pattern Recognition · Computer Science 2024-05-22 Daniel Martin , Ana Serrano , Alexander W. Bergman , Gordon Wetzstein , Belen Masia

Graph generation with Machine Learning is an open problem with applications in various research fields. In this work, we propose to cast the generative process of a graph into a sequential one, relying on a node ordering procedure. We use…

Machine Learning · Statistics 2020-04-24 Davide Bacciu , Alessio Micheli , Marco Podda

Artistic Glyph Image Generation (AGIG) differs from current creativity-focused generation models by offering finely controllable deterministic generation. It transfers the style of a reference image to a source while preserving its content.…

Computer Vision and Pattern Recognition · Computer Science 2025-04-08 Xiongbo Lu , Yaxiong Chen , Shengwu Xiong

RNA plays a pivotal role in diverse biological processes, ranging from gene regulation to catalysis. Recent advances in RNA design, such as RfamGen, Ribodiffusion and RDesign, have demonstrated promising results, with successful designs of…

Biomolecules · Quantitative Biology 2025-03-11 Letian Gao , Zhi John Lu

Predicting the emergence of multiple chronic conditions (MCC) is crucial for early intervention and personalized healthcare, as MCC significantly impacts patient outcomes and healthcare costs. Graph neural networks (GNNs) are effective…

The rise of graph-structured data has driven interest in graph learning and synthetic data generation. While successful in text and image domains, synthetic graph generation remains challenging -- especially for real-world graphs with…

Machine Learning · Computer Science 2025-07-29 Tianhao Wang , Simon Klancher , Kunal Mukherjee , Josh Wiedemeier , Feng Chen , Murat Kantarcioglu , Kangkook Jee

Interconnected complex systems usually undergo disruptions due to internal uncertainties and external negative impacts such as those caused by harsh operating environments or regional natural disaster events. To maintain the operation of…

Machine Learning · Computer Science 2022-07-05 Jiaxin Wu , Pingfeng Wang

Deep generative models are attracting great attention for molecular design with desired properties. Most existing models generate molecules by sequentially adding atoms. This often renders generated molecules with less correlation with…

Machine Learning · Computer Science 2021-11-29 Seonghwan Seo , Jaechang Lim , Woo Youn Kim

Graph partitioning, a well studied problem of parallel computing has many applications in diversified fields such as distributed computing, social network analysis, data mining and many other domains. In this paper, we introduce FGPGA, an…

Neural and Evolutionary Computing · Computer Science 2014-11-18 Md. Lisul Islam , Novia Nurain , Swakkhar Shatabda , M Sohel Rahman